1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid

C17H13ClN2O3 — CID 82212317

IUPAC1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)O)cn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClN2O3/c1-23-14-4-2-3-11(9-14)16-19-15(17(21)22)10-20(16)13-7-5-12(18)6-8-13/h2-10H,1H3,(H,21,22)
InChIKeyKWAZSNURMIGNQS-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.90
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid

1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid (PubChem CID 82212317) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
PubChem CID82212317
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)O)cn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClN2O3/c1-23-14-4-2-3-11(9-14)16-19-15(17(21)22)10-20(16)13-7-5-12(18)6-8-13/h2-10H,1H3,(H,21,22)
InChIKeyKWAZSNURMIGNQS-UHFFFAOYSA-N
XLogP3.90
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
1-(4-chlorophenyl)-N-cyclohexyl-2-(3-methoxyphenyl)imidazole-4-carboxamide
CID 174473521
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide
CID 174460554
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212271
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 98018913
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
N-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690070
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252470

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid (CID 82212317) is 1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid is COc1cccc(-c2nc(C(=O)O)cn2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid?
The InChIKey is KWAZSNURMIGNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-14-4-2-3-11(9-14)16-19-15(17(21)22)10-20(16)13-7-5-12(18)6-8-13/h2-10H,1H3,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid?
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid has a molecular weight of 328.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 82212317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).