N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide

C20H24N4O — CID 16964075

IUPACN-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCCC(C)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C20H24N4O/c1-4-15(2)13-24-18-10-6-5-9-17(18)22-19(24)14-23(3)20(25)16-8-7-11-21-12-16/h5-12,15H,4,13-14H2,1-3H3
InChIKeyIAFYOMLQGQQWMA-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.75
Rot. Bonds6

About N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide

N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 16964075) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID16964075
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCCC(C)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C20H24N4O/c1-4-15(2)13-24-18-10-6-5-9-17(18)22-19(24)14-23(3)20(25)16-8-7-11-21-12-16/h5-12,15H,4,13-14H2,1-3H3
InChIKeyIAFYOMLQGQQWMA-UHFFFAOYSA-N
XLogP3.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964202
N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964092
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964123
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964187
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964193
N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964156
N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965703
N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 16965699
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964061
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965732
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide (CID 16964075) is N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide is CCC(C)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is IAFYOMLQGQQWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-15(2)13-24-18-10-6-5-9-17(18)22-19(24)14-23(3)20(25)16-8-7-11-21-12-16/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.75, 6 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-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).