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Methyl 1-methyl-1H-benzo[d]imidazole-5-carboxylate

HCID 965319
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
131020-36-5
Standard SMILES
COC(=O)c1ccc2c(c1)ncn2C
InChIKey
HBYFGEOBNHODCG-UHFFFAOYSA-N
Molecular formula
C10H10N2O2
Average molar mass
190.2 g/mol
Monoisotopic mass
190.07422756

Names & identifiers

Preferred name
Methyl 1-methyl-1H-benzo[d]imidazole-5-carboxylate
IUPAC
methyl 1-methylbenzimidazole-5-carboxylate
English name
1H-Benzimidazole-5-carboxylicacid,1-methyl-,methylester(9CI)
Molecular formula
C10H10N2O2
Molecular weight
190.2

Names & synonyms

131020-36-5Methyl 1-methyl-1H-benzo[d]imidazole-5-carboxylatemethyl 1-methylbenzimidazole-5-carboxylateMethyl 1-methyl-1H-1,3-benzimidazole-5-carboxylateMFCD04492113Methyl 1-methyl-1H-benzimidazole-5-carboxylate1H-Benzimidazole-5-carboxylic acid, 1-methyl-, methyl ester1H-Benzimidazole-5-carboxylicacid,1-methyl-,methylester(9CI)SCHEMBL541597methyl 1-methyl-1H-1,3-benzodiazole-5-carboxylateSCHEMBL5983869DTXSID50359479
Show more names
Methyl 1-methylbenzo[d]imidazol-5-carboxylate1-Methyl-1H-benzimidazole-5-carboxylic acid methyl ester
HBYFGEOBNHODCG-UHFFFAOYSA-NSBB067349XH0058AKOS003589959KD-07331H-Benzimidazole-5-carboxylic acid, 1-SY048005methyl 1-methyl-benzimidazole-5-carboxylate

Database identifiers

CAS
131020-36-5
PubChem CID
965319
DTXSID

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
232

Physicochemical properties

Melting point
109 · 109~111℃
storage temp.
Sealed in dry,Room Temperature
Appearance
Brown to black Solid
HS Code
2933998090 · 2933998090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2933998090

Chemistry & industry

Applications

UsesMethyl 1-Methyl-1H-benzo[d]imidazole-5-carboxylate is a useful reagent for preparation of hydroxytryptamine receptor antagonist.

Upstream & downstream products

Upstream raw materials

Formic acid1-methyl-1H-1,3-benzodiazole-5-carboxylic acid hydrochlorideMethyl 3-amino-4-(methylamino)benzenecarboxylate

Suppliers44 total

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

9 records
New reaction record
HRID 348524 reaction equation
HRID 348524As productuspto-grants-2007_02
HRID 348525 reaction equation
HRID 348525As reactantuspto-grants-2007_02
HRID 1051542 reaction equation
HRID 1051542As productuspto-grants-2016_07
HRID 1051543 reaction equation
HRID 1051543As reactantuspto-grants-2016_07
HRID 1110806 reaction equation
HRID 1110806As productuspto-grants-1990_12
HRID 1399916 reaction equation
HRID 1399916As productuspto-grants-2014_12
HRID 1399917 reaction equation
HRID 1399917As reactantuspto-grants-2014_12
HRID 1575948 reaction equation
HRID 1575948As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
Page 1 of 2

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
DTXSID50359479
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
上海祉夏化工科技有限公司15216847143 18321145570 · [email protected]
南京百安迈生物医药科技有限公司18066080842 13952020641 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
上海篆乾生物科技有限公司15721176654;15710104046 · [email protected]
上海雷祺生物科技有限公司18621609968 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
四川铂友生物科技有限公司(原四川佰朋)028-65791793 18140026355 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]