N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide

C17H16ClN3O — CID 780945

IUPACN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c1-2-16(22)20-17-19-14-5-3-4-6-15(14)21(17)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,20,22)
InChIKeyTWDDFGUXTRUDSK-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.09
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide

N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide (PubChem CID 780945) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide
PubChem CID780945
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c1-2-16(22)20-17-19-14-5-3-4-6-15(14)21(17)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,20,22)
InChIKeyTWDDFGUXTRUDSK-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide (CID 780945) is N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide is CCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide?
The InChIKey is TWDDFGUXTRUDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-2-16(22)20-17-19-14-5-3-4-6-15(14)21(17)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,20,22).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide?
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide has a molecular weight of 313.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propanamide is sourced from PubChem (CID 780945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).