Basic information
- CAS
83846-62-2- Standard SMILES
COC(=O)c1cncn1-c1ccccc1- InChIKey
CKWUTWFZMPGKGM-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- methyl 1-phenyl-1H-imidazole-5-carboxylate
- IUPAC
- methyl 3-phenylimidazole-4-carboxylate
- English name
- methyl 1-phenyl-1H-imidazole-5-carboxylate
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.2093
Names & synonyms
Methyl 1-phenyl-1H-imidazole-5-carboxylate83846-62-2methyl 3-phenylimidazole-4-carboxylateL84ARF3DHAEINECS 281-039-2NSC-97020DTXSID80232741NSC 970201H-IMIDAZOLE-5-CARBOXYLIC ACID, 1-PHENYL-, METHYL ESTERRefChem:157155DTXCID10155232281-039-2
Show more names
1-Phenyl-1H-imidazole-5-carboxylic acid methyl ester
NSC97020methyl1-phenyl-1H-imidazole-5-carboxylateUNII-L84ARF3DHA1H-Imidazole-5-carboxylicacid, 1-phenyl-, methyl esterSCHEMBL27332607CKWUTWFZMPGKGM-UHFFFAOYSA-NAKOS017437634DS-002891
Database identifiers
- CAS
83846-62-2- PubChem CID
- 97021
- DTXSID
DTXSID80232741- UNII
- L84ARF3DHA
- EC Number
- 281-039-2
- Nikkaji
- J326.899C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- InChI
- InChI=1S/C11H10N2O2/c1-15-11(14)10-7-12-8-13(10)9-5-3-2-4-6-9/h2-8H,1H3
- InChIKey
- CKWUTWFZMPGKGM-UHFFFAOYSA-N
- SMILES
- C1N(C2=CC=CC=C2)C(C(OC)=O)=CN=1
- FDA UNII
- 84 ARF3DHA · L84ARF3DHA
Chemistry & industry
Suppliers6 total
济南睿遥明志医疗科技有限公司15662630077 15662630077 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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