N-(4,7-Dimethoxy-1H-benzimidazol-2-yl)propanimidic acid
Basic information
- CAS
40294-13-1- Standard SMILES
CCC(=O)Nc1nc2c(OC)ccc(OC)c2[nH]1- InChIKey
SOUVCKJJDSBWPC-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.11134135
Names & identifiers
- Preferred name
- N-(4,7-Dimethoxy-1H-benzimidazol-2-yl)propanimidic acid
- IUPAC
- N-(4,7-dimethoxy-1H-benzimidazol-2-yl)propanamide
Names & synonyms
40294-13-1DTXSID30960729N-(4,7-Dimethoxy-1H-benzimidazol-2-yl)propanimidic acidRefChem:1091197DTXCID801388574N-(4,7-Dimethoxy-1H-benzimidazol-2-yl)propanamideBRN 0671280Propanamide, N-(4,7-dimethoxy-1H-benzimidazol-2-yl)-5-25-13-00328 (Beilstein Handbook Reference)N-(4,7-Dimethoxy-1H-1,3-benzimidazol-2-yl)propanimidic acid
Database identifiers
- CAS
40294-13-1- PubChem CID
- 218183
- DTXSID
DTXSID30960729
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
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Compound notes
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