Basic information
- Standard SMILES
COC(=O)c1cncn1Cc1ccccc1- InChIKey
DOTNQIPIURWNFJ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987762
Names & identifiers
- Preferred name
- Methyl 1-(phenylmethyl)-1H-imidazole-5-carboxylate
- IUPAC
- methyl 3-benzylimidazole-4-carboxylate
- English name
- methyl 1-benzyl-1H-imidazole-5-carboxylate
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
73941-33-0Methyl 1-benzylimidazole-5-carboxylate66RO5I0EOGNSC-915431H-Imidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl esterRefChem:1089244Methyl 1-(phenylmethyl)-1H-imidazole-5-carboxylate277-646-7Methyl 1-benzyl-1H-imidazole-5-carboxylatemethyl 3-benzylimidazole-4-carboxylateImidazole-5-carboxylic acid, 1-benzyl-, methyl esterMFCD01721696
Show more names
1-Benzyl-1H-imidazole-5-carboxylic acid methyl ester1-(Phenylmethyl)-1H-imidazole-5-carboxylic acid methyl ester
1-Benzyl-5-imidazolecarboxylic acid methyl estermethyl1-benzyl-1H-imidazole-5-carboxylateMLS0026950823-Benzyl-3H-imidazole-4-carboxylic acid methyl esterEINECS 277-646-7NSC 91543BRN 0199825UNII-66RO5I0EOG
Database identifiers
- CAS
73941-33-0- PubChem CID
- 96879
- DTXSID
DTXSID30224636- ChEMBL
CHEMBL406326- UNII
- 66RO5I0EOG
- EC Number
- 277-646-7
- Nikkaji
- J86.807H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 64 ℃ · 64℃
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 66 RO5I0EOG · 66RO5I0EOG
Chemistry & industry
Suppliers18 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台凯博医药科技有限公司0535-6385396 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
河南凯美优科技有限公司0372-15803728682 15803728682 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
2 records
Linked notes
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