3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide

C14H17N3O — CID 110858219

IUPAC3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncn2C)c(C)c1
InChIInChI=1S/C14H17N3O/c1-9-5-10(2)13(11(3)6-9)16-14(18)12-7-15-8-17(12)4/h5-8H,1-4H3,(H,16,18)
InChIKeyXYFURSCBJLIALM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.60
Rot. Bonds2

About 3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide

3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide (PubChem CID 110858219) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide
PubChem CID110858219
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncn2C)c(C)c1
InChIInChI=1S/C14H17N3O/c1-9-5-10(2)13(11(3)6-9)16-14(18)12-7-15-8-17(12)4/h5-8H,1-4H3,(H,16,18)
InChIKeyXYFURSCBJLIALM-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(5-methyl-1,2-oxazol-3-yl)imidazole-4-carboxamide
CID 110865549
N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide
CID 110863425
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110863038
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
5-[(3-methylimidazole-4-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 103510438
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(4-amino-1-methylpyrazol-5-yl)-3-methylimidazole-4-carboxamide
CID 103510347
N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 107675810
4,5-difluoro-2-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510522
N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103511331
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide (CID 110858219) is 3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2cncn2C)c(C)c1.
What is the InChIKey of 3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide?
The InChIKey is XYFURSCBJLIALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-5-10(2)13(11(3)6-9)16-14(18)12-7-15-8-17(12)4/h5-8H,1-4H3,(H,16,18).
What are the key properties of 3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide?
3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 110858219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).