Basic information
- Standard SMILES
CCOCCn1c(N2CCCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)nc2ccccc21- InChIKey
RWKMFEZAVXPRKK-UHFFFAOYSA-N- Molecular formula
- C29H33ClN4O
- Average molar mass
- 489 g/mol
- Monoisotopic mass
- 488.2342894
Names & identifiers
- Preferred name
- 1-(2-ethoxyethyl)-2-[hexahydro-4-(4-chlorobenzhydryl)-1H-1,4-diazepin-1-yl]-1H-benzimidazole
- IUPAC
- 2-[4-[(4-chlorophenyl)-phenylmethyl]-1,4-diazepan-1-yl]-1-(2-ethoxyethyl)benzimidazole
Names & synonyms
SCHEMBL7667116RWKMFEZAVXPRKK-UHFFFAOYSA-N1-(2-ethoxyethyl)-2-[hexahydro-4-(4-chlorobenzhydryl)-1H-1,4-diazepin-1-yl]-1H-benzimidazole
Database identifiers
- PubChem CID
- 9870136
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 624
Related reactions
2 records
Compound notes
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