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Basic information
- Standard SMILES
CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CN)ccc21- InChIKey
OQUBSWRUKJNEKC-UHFFFAOYSA-N- Molecular formula
- C24H31N5O
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.25286063
Names & identifiers
- Preferred name
- 1-[5-aminomethyl-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-3-isopropyl-1,3-dihydro-benzoimidazol-2-one
- IUPAC
- 1-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
Names & synonyms
CHEMBL247852SCHEMBL6244317OQUBSWRUKJNEKC-UHFFFAOYSA-N1-[5-aminomethyl-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-3-isopropyl-1,3-dihydro-benzoimidazol-2-one
Database identifiers
- PubChem CID
- 11675820
- ChEMBL
CHEMBL247852
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 596
Related reactions
5 records
Compound notes
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