4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide

C16H18N4O2 — CID 175073754

IUPAC4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide
SMILESCc1cccc2[nH]c(=O)n(C3=CN(C(N)=O)C=CC3(C)C)c12
InChIInChI=1S/C16H18N4O2/c1-10-5-4-6-11-13(10)20(15(22)18-11)12-9-19(14(17)21)8-7-16(12,2)3/h4-9H,1-3H3,(H2,17,21)(H,18,22)
InChIKeyWCQWQDOQJMEURT-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.37
Rot. Bonds1

About 4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide

4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide (PubChem CID 175073754) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide
PubChem CID175073754
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide
SMILESCc1cccc2[nH]c(=O)n(C3=CN(C(N)=O)C=CC3(C)C)c12
InChIInChI=1S/C16H18N4O2/c1-10-5-4-6-11-13(10)20(15(22)18-11)12-9-19(14(17)21)8-7-16(12,2)3/h4-9H,1-3H3,(H2,17,21)(H,18,22)
InChIKeyWCQWQDOQJMEURT-UHFFFAOYSA-N
XLogP2.37
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2-methylphenyl)-1H-benzimidazol-2-one
CID 117209197
3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
CID 117209156
2,3-dimethyl-5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-4-carboxamide
CID 175073755
7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 154197959
methyl 5-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
CID 146175415
4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117209238
3-(2,6-dimethylphenyl)-4,5-difluoro-1H-benzimidazol-2-one
CID 110491340
3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931444
5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82479727
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 106277630
4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one
CID 117209326
3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide
CID 83877407

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide?
The IUPAC name of 4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide (CID 175073754) is 4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide.
What is the SMILES notation for 4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide?
The canonical SMILES for 4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide is Cc1cccc2[nH]c(=O)n(C3=CN(C(N)=O)C=CC3(C)C)c12.
What is the InChIKey of 4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide?
The InChIKey is WCQWQDOQJMEURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-5-4-6-11-13(10)20(15(22)18-11)12-9-19(14(17)21)8-7-16(12,2)3/h4-9H,1-3H3,(H2,17,21)(H,18,22).
What are the key properties of 4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide?
4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)pyridine-1-carboxamide is sourced from PubChem (CID 175073754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).