N-benzyl-1,4-dimethylimidazole-2-carboxamide

C13H15N3O — CID 145376007

IUPACN-benzyl-1,4-dimethylimidazole-2-carboxamide
SMILESCc1cn(C)c(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-10-9-16(2)12(15-10)13(17)14-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyWGOBRVXQTALYPR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.66
Rot. Bonds3

About N-benzyl-1,4-dimethylimidazole-2-carboxamide

N-benzyl-1,4-dimethylimidazole-2-carboxamide (PubChem CID 145376007) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-benzyl-1,4-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,4-dimethylimidazole-2-carboxamide
PubChem CID145376007
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-benzyl-1,4-dimethylimidazole-2-carboxamide
SMILESCc1cn(C)c(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-10-9-16(2)12(15-10)13(17)14-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyWGOBRVXQTALYPR-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
N-benzyl-4-bromo-1,3-thiazole-2-carboxamide
CID 90935843
N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide
CID 158458619
N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795851
N-[(2-methylimidazo[1,2-a]pyridin-7-yl)methyl]benzamide
CID 129141052
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225
N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037018

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,4-dimethylimidazole-2-carboxamide?
The IUPAC name of N-benzyl-1,4-dimethylimidazole-2-carboxamide (CID 145376007) is N-benzyl-1,4-dimethylimidazole-2-carboxamide.
What is the SMILES notation for N-benzyl-1,4-dimethylimidazole-2-carboxamide?
The canonical SMILES for N-benzyl-1,4-dimethylimidazole-2-carboxamide is Cc1cn(C)c(C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-1,4-dimethylimidazole-2-carboxamide?
The InChIKey is WGOBRVXQTALYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-9-16(2)12(15-10)13(17)14-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,14,17).
What are the key properties of N-benzyl-1,4-dimethylimidazole-2-carboxamide?
N-benzyl-1,4-dimethylimidazole-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,4-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 145376007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).