2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid

C14H7BrF2N2O2 — CID 103436100

IUPAC2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(-c3ccc(F)cc3Br)nc12
InChIInChI=1S/C14H7BrF2N2O2/c15-10-4-6(16)1-2-8(10)13-18-11-5-7(17)3-9(14(20)21)12(11)19-13/h1-5H,(H,18,19)(H,20,21)
InChIKeyLNQTYXPFDVYEKJ-UHFFFAOYSA-N
MW353.12 g/mol
LogP3.97
Rot. Bonds2

About 2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid

2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid (PubChem CID 103436100) has the molecular formula C14H7BrF2N2O2 and a molecular weight of 353.12 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
PubChem CID103436100
Molecular FormulaC14H7BrF2N2O2
Molecular Weight353.12 g/mol
Exact Mass351.97
IUPAC Name2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(-c3ccc(F)cc3Br)nc12
InChIInChI=1S/C14H7BrF2N2O2/c15-10-4-6(16)1-2-8(10)13-18-11-5-7(17)3-9(14(20)21)12(11)19-13/h1-5H,(H,18,19)(H,20,21)
InChIKeyLNQTYXPFDVYEKJ-UHFFFAOYSA-N
XLogP3.97
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436111
2-(5-bromo-2-chlorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435950
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169
6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 136948243
6-fluoro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 103435877
6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436055
2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435917
2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436113
2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 107281013
6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436255
2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463378

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid (CID 103436100) is 2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(F)cc2[nH]c(-c3ccc(F)cc3Br)nc12.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The InChIKey is LNQTYXPFDVYEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N2O2/c15-10-4-6(16)1-2-8(10)13-18-11-5-7(17)3-9(14(20)21)12(11)19-13/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid has a molecular weight of 353.12 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 103436100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).