3-{1-[4-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-3-(1-piperidin-4-ylmethyl-1H-benzimidazol-2-yl)-butyryl]-piperidin-4-yl}-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
Basic information
- Standard SMILES
Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)c2nc3ccccc3n2CC2CCNCC2)cc1C(F)(F)F- InChIKey
ZXMVPZMEEZLTDJ-UHFFFAOYSA-N- Molecular formula
- C38H43ClF3N7O2
- Average molar mass
- 722.2 g/mol
- Monoisotopic mass
- 721.3118858
Names & identifiers
- Preferred name
- 3-{1-[4-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-3-(1-piperidin-4-ylmethyl-1H-benzimidazol-2-yl)-butyryl]-piperidin-4-yl}-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
- IUPAC
- 3-[1-[4-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-3-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]butanoyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one
Names & synonyms
3-{1-[4-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-3-(1-piperidin-4-ylmethyl-1H-benzimidazol-2-yl)-butyryl]-piperidin-4-yl}-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-oneSCHEMBL38706033-{1-[4-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-3-( 1-piperidin-4-ylmethyl-1H-benzimidazol-2-yl)-butyryl]-piperidin-4-yl}-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 10240422
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,180
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Related reactions
2 records
Compound notes
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