N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide

C19H22N4O — CID 77080314

IUPACN-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide
SMILESCCCCN(Cc1ccncc1)C(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C19H22N4O/c1-3-4-11-23(13-15-7-9-20-10-8-15)19(24)16-5-6-18-17(12-16)21-14-22(18)2/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyGSTCAVIGUQEQEN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.41
Rot. Bonds6

About N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide

N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 77080314) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide
PubChem CID77080314
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide
SMILESCCCCN(Cc1ccncc1)C(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C19H22N4O/c1-3-4-11-23(13-15-7-9-20-10-8-15)19(24)16-5-6-18-17(12-16)21-14-22(18)2/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyGSTCAVIGUQEQEN-UHFFFAOYSA-N
XLogP3.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
CID 110692583
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922
N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 119074443
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110015222
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
N-pentyl-N-(pyridin-4-ylmethyl)acetamide
CID 46205843
N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765720
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide (CID 77080314) is N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide is CCCCN(Cc1ccncc1)C(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is GSTCAVIGUQEQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-4-11-23(13-15-7-9-20-10-8-15)19(24)16-5-6-18-17(12-16)21-14-22(18)2/h5-10,12,14H,3-4,11,13H2,1-2H3.
What are the key properties of N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide?
N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 77080314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).