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

C21H17ClN4O — CID 16965557

IUPACN-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C21H17ClN4O/c22-17-7-5-15(6-8-17)14-26-19-4-2-1-3-18(19)25-20(26)13-24-21(27)16-9-11-23-12-10-16/h1-12H,13-14H2,(H,24,27)
InChIKeyZVFOIHVLGJSOKL-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.06
Rot. Bonds5

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

N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 16965557) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
PubChem CID16965557
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C21H17ClN4O/c22-17-7-5-15(6-8-17)14-26-19-4-2-1-3-18(19)25-20(26)13-24-21(27)16-9-11-23-12-10-16/h1-12H,13-14H2,(H,24,27)
InChIKeyZVFOIHVLGJSOKL-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965555
4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 42810755
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008546
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008255
4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008866
N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965888
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide (CID 16965557) is N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide is O=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccncc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is ZVFOIHVLGJSOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-17-7-5-15(6-8-17)14-26-19-4-2-1-3-18(19)25-20(26)13-24-21(27)16-9-11-23-12-10-16/h1-12H,13-14H2,(H,24,27).
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).