Basic information
- CAS
58261-91-9- Standard SMILES
Cc1[nH]c(-c2ccccc2)nc1CC#N- InChIKey
OTRQRKIYHATFKM-UHFFFAOYSA-N- Molecular formula
- C12H11N3
- Average molar mass
- 197.24 g/mol
- Monoisotopic mass
- 197.09529736
Overview
Mefenidil is a small molecule drug. The usage of the INN stem '-dil' in the name indicates that Mefenidil is a vasodilator. Mefenidil has a monoisotopic molecular weight of 197.1 Da.
Names & identifiers
- Preferred name
- Mefenidil
- IUPAC
- 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile
- English name
- (5-METHYL-2-PHENYL-1H-IMIDAZOL-4-YL)-ACETONITRILE
- Molecular formula
- C12H11N3
- Molecular weight
- 197.24
Names & synonyms
Mefenidil58261-91-9McN-23781H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-5-Methyl-2-phenylimidazole-4-acetonitrile74WY8560J75-methyl-2-phenyl-4-imidazoleacetonitrileDTXSID70206991RefChem:156246DTXCID001294822-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrileMcN 2378
Show more names
5-Methyl-2-phenyl-1H-imidazole-4-acetonitrile1H-Imidazole-5-acetonitrile, 4-methyl-2-phenyl-
(5-METHYL-2-PHENYL-1H-IMIDAZOL-4-YL)-ACETONITRILEMefenidil (USAN)MEFENIDIL [USAN]MefenidilumMefenidilum [Latin]Mefenidil [USAN:INN]UNII-74WY8560J7MEFENIDIL [INN]
Database identifiers
- CAS
58261-91-9- PubChem CID
- 65475
- DTXSID
DTXSID70206991- ChEMBL
CHEMBL2106836- UNII
- 74WY8560J7
- Nikkaji
- J22.662I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- FDA UNII
- 74 WY8560J7 · 74WY8560J7
Chemistry & industry
Applications
UsesVasodilator (cerebral).
Suppliers6 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
8 records
Compound notes
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