N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide

C19H22N4O — CID 110765720

IUPACN-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
SMILESCC(C)n1cnc2cc(C(=O)N(C)CCc3ccncc3)ccc21
InChIInChI=1S/C19H22N4O/c1-14(2)23-13-21-17-12-16(4-5-18(17)23)19(24)22(3)11-8-15-6-9-20-10-7-15/h4-7,9-10,12-14H,8,11H2,1-3H3
InChIKeyNXPQFEROYFBMHV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.33
Rot. Bonds5

About N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide

N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide (PubChem CID 110765720) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
PubChem CID110765720
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
SMILESCC(C)n1cnc2cc(C(=O)N(C)CCc3ccncc3)ccc21
InChIInChI=1S/C19H22N4O/c1-14(2)23-13-21-17-12-16(4-5-18(17)23)19(24)22(3)11-8-15-6-9-20-10-7-15/h4-7,9-10,12-14H,8,11H2,1-3H3
InChIKeyNXPQFEROYFBMHV-UHFFFAOYSA-N
XLogP3.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765703
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765803
2-[2-(3-methylphenyl)ethyl-(1-propan-2-ylbenzimidazole-5-carbonyl)amino]acetic acid
CID 110165448
4-oxo-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82500461
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
CID 110440864
N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765642
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109165736
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide
CID 142236683
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692316

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide (CID 110765720) is N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide is CC(C)n1cnc2cc(C(=O)N(C)CCc3ccncc3)ccc21.
What is the InChIKey of N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is NXPQFEROYFBMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14(2)23-13-21-17-12-16(4-5-18(17)23)19(24)22(3)11-8-15-6-9-20-10-7-15/h4-7,9-10,12-14H,8,11H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide?
N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 110765720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).