5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid

C10H5BrCl2N2O2 — CID 84610421

IUPAC5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)c(Cl)c2)[nH]c1Br
InChIInChI=1S/C10H5BrCl2N2O2/c11-8-7(10(16)17)14-9(15-8)4-1-2-5(12)6(13)3-4/h1-3H,(H,14,15)(H,16,17)
InChIKeyOFNCWSVVLYJGTQ-UHFFFAOYSA-N
MW335.97 g/mol
LogP3.84
Rot. Bonds2

About 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid

5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid (PubChem CID 84610421) has the molecular formula C10H5BrCl2N2O2 and a molecular weight of 335.97 g/mol. Its IUPAC name is 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid
PubChem CID84610421
Molecular FormulaC10H5BrCl2N2O2
Molecular Weight335.97 g/mol
Exact Mass333.89
IUPAC Name5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)c(Cl)c2)[nH]c1Br
InChIInChI=1S/C10H5BrCl2N2O2/c11-8-7(10(16)17)14-9(15-8)4-1-2-5(12)6(13)3-4/h1-3H,(H,14,15)(H,16,17)
InChIKeyOFNCWSVVLYJGTQ-UHFFFAOYSA-N
XLogP3.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.97
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 91686806
2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 62532949
7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 91686797
5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 82168579
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442
5-(3,4-dichlorophenyl)-2H-triazole-4-carboxylic acid
CID 83656916
2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 107989451
2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
CID 107989457
4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole
CID 95909549
5-[3-(3,4-dichlorophenyl)phenyl]-2H-triazole-4-carboxylic acid
CID 155250572
5-tert-butyl-2-(3-chlorophenyl)-1H-imidazole-4-carboxylic acid
CID 62532435
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid (CID 84610421) is 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)c(Cl)c2)[nH]c1Br.
What is the InChIKey of 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid?
The InChIKey is OFNCWSVVLYJGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2O2/c11-8-7(10(16)17)14-9(15-8)4-1-2-5(12)6(13)3-4/h1-3H,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid?
5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid has a molecular weight of 335.97 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 84610421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).