1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid

C12H10BrFN2O2 — CID 150472363

IUPAC1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)cn1-c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN2O2/c1-2-11-15-10(12(17)18)6-16(11)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H,17,18)
InChIKeyHSBLYWCGOXJGKB-UHFFFAOYSA-N
MW313.13 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid

1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid (PubChem CID 150472363) has the molecular formula C12H10BrFN2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid
PubChem CID150472363
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)cn1-c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN2O2/c1-2-11-15-10(12(17)18)6-16(11)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H,17,18)
InChIKeyHSBLYWCGOXJGKB-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-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

6-Bromo-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 5260648
1-(4-Fluorophenyl)-1H-imidazole-5-carboxylic acid
CID 2474234
6-Bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872599
1-Phenyl-1H-imidazole-4-carboxylic acid
CID 23445047
1-(6-methyl-2-pyridinyl)-1H-imidazole-4-carboxylic acid
CID 1480005
1-(4-fluorophenyl)-1H-imidazole-4-carboxylic acid
CID 17390048
1-[4-(Trifluoromethyl)phenyl]-1H-imidazole-4-carboxylic acid
CID 23445155
1-(3-Fluorophenyl)-1H-imidazole-4-carboxylic acid
CID 62056614
1-(2-Fluorophenyl)-1H-imidazole-4-carboxylic acid
CID 62056782
6-Bromo-3-fluoroimidazo(1,2-a)pyridine-2-carboxylic acid hydrochloride
CID 129767028
2-(methylsulfanyl)-1-phenyl-1H-imidazole-5-carboxylic acid
CID 4961976
1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid
CID 2113884

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid (CID 150472363) is 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid is CCc1nc(C(=O)O)cn1-c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid?
The InChIKey is HSBLYWCGOXJGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c1-2-11-15-10(12(17)18)6-16(11)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H,17,18).
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid?
1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid has a molecular weight of 313.13 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylic acid is sourced from PubChem (CID 150472363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).