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

C21H17ClN4O — CID 16965555

IUPACN-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C21H17ClN4O/c22-17-6-2-1-5-16(17)14-26-19-8-4-3-7-18(19)25-20(26)13-24-21(27)15-9-11-23-12-10-15/h1-12H,13-14H2,(H,24,27)
InChIKeyPFUXYTKNPJYWOR-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.06
Rot. Bonds5

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

N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 16965555) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
PubChem CID16965555
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C21H17ClN4O/c22-17-6-2-1-5-16(17)14-26-19-8-4-3-7-18(19)25-20(26)13-24-21(27)15-9-11-23-12-10-15/h1-12H,13-14H2,(H,24,27)
InChIKeyPFUXYTKNPJYWOR-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

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965557
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965641
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964259
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970778

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide (CID 16965555) is N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide is O=C(NCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccncc1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is PFUXYTKNPJYWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-17-6-2-1-5-16(17)14-26-19-8-4-3-7-18(19)25-20(26)13-24-21(27)15-9-11-23-12-10-15/h1-12H,13-14H2,(H,24,27).
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide?
N-[[1-[(2-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-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).