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

C23H22N4O — CID 16966843

IUPACN-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCc1ccccc1Cn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C23H22N4O/c1-17-9-3-4-10-18(17)15-27-21-13-6-5-11-19(21)25-22(27)16-26(2)23(28)20-12-7-8-14-24-20/h3-14H,15-16H2,1-2H3
InChIKeyJQWRQIFPAPEYDB-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.06
Rot. Bonds5

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

N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 16966843) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
PubChem CID16966843
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCc1ccccc1Cn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C23H22N4O/c1-17-9-3-4-10-18(17)15-27-21-13-6-5-11-19(21)25-22(27)16-26(2)23(28)20-12-7-8-14-24-20/h3-14H,15-16H2,1-2H3
InChIKeyJQWRQIFPAPEYDB-UHFFFAOYSA-N
XLogP4.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966831
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966866
N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966840
N-methyl-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966959
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966849
N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966869
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966944
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966877
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966196
N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964092
N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986719

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (CID 16966843) is N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is Cc1ccccc1Cn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21.
What is the InChIKey of N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is JQWRQIFPAPEYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17-9-3-4-10-18(17)15-27-21-13-6-5-11-19(21)25-22(27)16-26(2)23(28)20-12-7-8-14-24-20/h3-14H,15-16H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).