1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid

C19H18N2O3 — CID 94946663

IUPAC1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
SMILESCCOc1ccccc1-n1cc(C(=O)O)nc1-c1cccc(C)c1
InChIInChI=1S/C19H18N2O3/c1-3-24-17-10-5-4-9-16(17)21-12-15(19(22)23)20-18(21)14-8-6-7-13(2)11-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyMHQCOLOTAAOCQQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.94
Rot. Bonds5

About 1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid

1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid (PubChem CID 94946663) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
PubChem CID94946663
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
SMILESCCOc1ccccc1-n1cc(C(=O)O)nc1-c1cccc(C)c1
InChIInChI=1S/C19H18N2O3/c1-3-24-17-10-5-4-9-16(17)21-12-15(19(22)23)20-18(21)14-8-6-7-13(2)11-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyMHQCOLOTAAOCQQ-UHFFFAOYSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212271
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946695
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361782
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
2-(2-methylphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212289
5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
CID 82361939
2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid
CID 82212267
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone
CID 131893621
2-ethoxybenzoic acid;zinc
CID 172723273

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid (CID 94946663) is 1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid is CCOc1ccccc1-n1cc(C(=O)O)nc1-c1cccc(C)c1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
The InChIKey is MHQCOLOTAAOCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-17-10-5-4-9-16(17)21-12-15(19(22)23)20-18(21)14-8-6-7-13(2)11-14/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of 1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 94946663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).