N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide

C13H15N3O — CID 110683959

IUPACN-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nc[nH]c2C)c1
InChIInChI=1S/C13H15N3O/c1-8-4-5-9(2)11(6-8)16-13(17)12-10(3)14-7-15-12/h4-7H,1-3H3,(H,14,15)(H,16,17)
InChIKeyURUDXRPDPAXSAK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.59
Rot. Bonds2

About N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide

N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 110683959) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID110683959
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nc[nH]c2C)c1
InChIInChI=1S/C13H15N3O/c1-8-4-5-9(2)11(6-8)16-13(17)12-10(3)14-7-15-12/h4-7H,1-3H3,(H,14,15)(H,16,17)
InChIKeyURUDXRPDPAXSAK-UHFFFAOYSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110474800
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N-(2,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
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N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
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4-amino-N-(2,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080747
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 110695993
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
N-(2,5-dimethylphenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
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N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
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methyl 5-methyl-1H-imidazole-4-carboxylate
CID 587740

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide (CID 110683959) is N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2nc[nH]c2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is URUDXRPDPAXSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-4-5-9(2)11(6-8)16-13(17)12-10(3)14-7-15-12/h4-7H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide?
N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 110683959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).