1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid

C19H18N2O2 — CID 94946695

IUPAC1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)cn2-c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H18N2O2/c1-12-5-8-15(9-6-12)18-20-16(19(22)23)11-21(18)17-10-13(2)4-7-14(17)3/h4-11H,1-3H3,(H,22,23)
InChIKeyLUAXNLUXPFWKOE-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.16
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid

1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid (PubChem CID 94946695) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
PubChem CID94946695
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)cn2-c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H18N2O2/c1-12-5-8-15(9-6-12)18-20-16(19(22)23)11-21(18)17-10-13(2)4-7-14(17)3/h4-11H,1-3H3,(H,22,23)
InChIKeyLUAXNLUXPFWKOE-UHFFFAOYSA-N
XLogP4.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid
CID 82212267
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212271
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946663
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82420382
1-(1-methyl-2H-pyridin-4-yl)-2-phenylimidazole-4-carboxylic acid
CID 142955129
1-(2,5-dimethylphenyl)-5-phenyltriazole-4-carboxylic acid
CID 82201268
2-(2-methylphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212289
3-(2,5-dimethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294279

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid (CID 94946695) is 1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid is Cc1ccc(-c2nc(C(=O)O)cn2-c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid?
The InChIKey is LUAXNLUXPFWKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-5-8-15(9-6-12)18-20-16(19(22)23)11-21(18)17-10-13(2)4-7-14(17)3/h4-11H,1-3H3,(H,22,23).
What are the key properties of 1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid?
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 94946695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).