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

C18H15ClN2O2 — CID 82212271

IUPAC1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1cccc(-c2nc(C(=O)O)cn2-c2ccc(Cl)cc2C)c1
InChIInChI=1S/C18H15ClN2O2/c1-11-4-3-5-13(8-11)17-20-15(18(22)23)10-21(17)16-7-6-14(19)9-12(16)2/h3-10H,1-2H3,(H,22,23)
InChIKeyGPAZXNPTDJVBHI-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.51
Rot. Bonds3

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

1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid (PubChem CID 82212271) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
PubChem CID82212271
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1cccc(-c2nc(C(=O)O)cn2-c2ccc(Cl)cc2C)c1
InChIInChI=1S/C18H15ClN2O2/c1-11-4-3-5-13(8-11)17-20-15(18(22)23)10-21(17)16-7-6-14(19)9-12(16)2/h3-10H,1-2H3,(H,22,23)
InChIKeyGPAZXNPTDJVBHI-UHFFFAOYSA-N
XLogP4.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.51
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
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946695
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
1-(2-ethoxyphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946663
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
2-(2-methylphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212289
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
CID 82480999
5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 82119560
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid (CID 82212271) is 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid is Cc1cccc(-c2nc(C(=O)O)cn2-c2ccc(Cl)cc2C)c1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
The InChIKey is GPAZXNPTDJVBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-4-3-5-13(8-11)17-20-15(18(22)23)10-21(17)16-7-6-14(19)9-12(16)2/h3-10H,1-2H3,(H,22,23).
What are the key properties of 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid?
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid has a molecular weight of 326.78 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 82212271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).