Basic information
- Standard SMILES
Fc1ccc(Cn2c(NC3CCN(CCCl)CC3)nc3ccccc32)cc1- InChIKey
ZUUFTKUMGIXWEM-UHFFFAOYSA-N- Molecular formula
- C21H24ClFN4
- Average molar mass
- 386.9 g/mol
- Monoisotopic mass
- 386.1673526
Names & identifiers
- Preferred name
- N-[1-(2-chloroethyl)-4-piperidinyl]-1-(4-fluorophenylmethyl)-1H-benzimidazol-2-amine
- IUPAC
- N-[1-(2-chloroethyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
Names & synonyms
SCHEMBL9740965CHEMBL1194555ZUUFTKUMGIXWEM-UHFFFAOYSA-NN-[1-(2-chloroethyl)-4-piperidinyl]-1-(4-fluorophenyl-methyl)-1H-benzimidazol-2-amineN-[1-(2-chloroethyl)-4-piperidinyl]-1-(4-fluorophenylmethyl)-1H-benzimidazol-2-amineN-[1-(2-chloroethyl)-4-piperidinyl]-1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-amine
Database identifiers
- PubChem CID
- 12891727
- ChEMBL
CHEMBL1194555
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 451
Related reactions
7 records
Compound notes
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