Basic information
- Standard SMILES
CNCCCc1nc2cc(C(=O)OC)ccc2[nH]1- InChIKey
LLEGVOALZSXJST-UHFFFAOYSA-N- Molecular formula
- C13H17N3O2
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.13207679
Names & identifiers
- Preferred name
- Methyl 2-(3-(methylamino)propyl)-1H-benzo[d]imidazole-5-carboxylate
- IUPAC
- methyl 2-[3-(methylamino)propyl]-3H-benzimidazole-5-carboxylate
Names & synonyms
1075748-04-7Methyl 2-(3-(methylamino)propyl)-1H-benzo[d]imidazole-5-carboxylateSCHEMBL2845644LLEGVOALZSXJST-UHFFFAOYSA-N2-(3-Methylamino-propyl)-1H-benzoimidazole-5-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 68413947
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Related reactions
1 records
Compound notes
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