4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid

C16H9BrClFN2O2 — CID 69189659

IUPAC4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3c(F)cccc3Cl)[nH]c2Br)cc1
InChIInChI=1S/C16H9BrClFN2O2/c17-14-13(8-4-6-9(7-5-8)16(22)23)20-15(21-14)12-10(18)2-1-3-11(12)19/h1-7H,(H,20,21)(H,22,23)
InChIKeyLQYNZJKMTHULCJ-UHFFFAOYSA-N
MW395.62 g/mol
LogP5.00
Rot. Bonds3

About 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid

4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid (PubChem CID 69189659) has the molecular formula C16H9BrClFN2O2 and a molecular weight of 395.62 g/mol. Its IUPAC name is 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid
PubChem CID69189659
Molecular FormulaC16H9BrClFN2O2
Molecular Weight395.62 g/mol
Exact Mass393.95
IUPAC Name4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3c(F)cccc3Cl)[nH]c2Br)cc1
InChIInChI=1S/C16H9BrClFN2O2/c17-14-13(8-4-6-9(7-5-8)16(22)23)20-15(21-14)12-10(18)2-1-3-11(12)19/h1-7H,(H,20,21)(H,22,23)
InChIKeyLQYNZJKMTHULCJ-UHFFFAOYSA-N
XLogP5.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.62
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic 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

2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole
CID 24957821
5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-[4-(trifluoromethoxy)phenyl]pyridine
CID 87576758
4-[2-[4-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethynyl]benzoic acid
CID 52946057
2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 70833482
2-(2-chloro-6-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 59587669
2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole
CID 143720020
1-(2-chloro-6-fluorophenyl)isoquinoline-7-carboxylic acid
CID 67960989
2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid
CID 68789188
4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
CID 155666200
N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide
CID 68791286
6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82168774
4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
CID 119008734

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid?
The IUPAC name of 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid (CID 69189659) is 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid.
What is the SMILES notation for 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid?
The canonical SMILES for 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid is O=C(O)c1ccc(-c2nc(-c3c(F)cccc3Cl)[nH]c2Br)cc1.
What is the InChIKey of 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid?
The InChIKey is LQYNZJKMTHULCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClFN2O2/c17-14-13(8-4-6-9(7-5-8)16(22)23)20-15(21-14)12-10(18)2-1-3-11(12)19/h1-7H,(H,20,21)(H,22,23).
What are the key properties of 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid?
4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid has a molecular weight of 395.62 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid is sourced from PubChem (CID 69189659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).