Methyl [6-(4-chlorobenzoyl)-1H-benzimidazol-2-yl]carbamate
Basic information
- CAS
31430-16-7- Standard SMILES
COC(=O)Nc1nc2ccc(C(=O)c3ccc(Cl)cc3)cc2[nH]1- InChIKey
PJWXMQYXMVVSCV-UHFFFAOYSA-N- Molecular formula
- C16H12ClN3O3
- Average molar mass
- 329.74 g/mol
- Monoisotopic mass
- 329.0567189
Names & identifiers
- Preferred name
- Methyl [6-(4-chlorobenzoyl)-1H-benzimidazol-2-yl]carbamate
- IUPAC
- methyl N-[6-(4-chlorobenzoyl)-1H-benzimidazol-2-yl]carbamate
Names & synonyms
DTXSID001150151Methyl [6-(4-chlorobenzoyl)-1H-benzimidazol-2-yl]carbamateCarbamic acid, [5-(4-chlorobenzoyl)-1H-benzimidazol-2-yl]-, methyl ester31430-16-7
Database identifiers
- CAS
31430-16-7- PubChem CID
- 102016332
- DTXSID
DTXSID001150151- Nikkaji
- J1.475.878J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
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Compound notes
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