2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid

C9H6BrFN2O2 — CID 131501525

IUPAC2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid
SMILESO=C(O)Cc1cc(F)cc2[nH]c(Br)nc12
InChIInChI=1S/C9H6BrFN2O2/c10-9-12-6-3-5(11)1-4(2-7(14)15)8(6)13-9/h1,3H,2H2,(H,12,13)(H,14,15)
InChIKeyOHCDTGWVSYVXNP-UHFFFAOYSA-N
MW273.06 g/mol
LogP2.09
Rot. Bonds2

About 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid

2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid (PubChem CID 131501525) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid
PubChem CID131501525
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Name2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid
SMILESO=C(O)Cc1cc(F)cc2[nH]c(Br)nc12
InChIInChI=1S/C9H6BrFN2O2/c10-9-12-6-3-5(11)1-4(2-7(14)15)8(6)13-9/h1,3H,2H2,(H,12,13)(H,14,15)
InChIKeyOHCDTGWVSYVXNP-UHFFFAOYSA-N
XLogP2.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic 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-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436100
2-(3-bromo-5-fluoro-2-iodophenyl)acetic acid
CID 131621164
2,4-dibromo-1H-benzimidazole-5-carboxylic acid
CID 131190484
2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 131285842
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
6-fluoro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 103435877
2-[(4,6-difluoro-1H-benzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570612
2-(4-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436111
2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid
CID 83903030
2-(5-bromo-2-chlorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435950
2,4,6-tribromo-1H-benzimidazole
CID 130864001
2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile
CID 130781560

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid?
The IUPAC name of 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid (CID 131501525) is 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid is O=C(O)Cc1cc(F)cc2[nH]c(Br)nc12.
What is the InChIKey of 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid?
The InChIKey is OHCDTGWVSYVXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c10-9-12-6-3-5(11)1-4(2-7(14)15)8(6)13-9/h1,3H,2H2,(H,12,13)(H,14,15).
What are the key properties of 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid?
2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid has a molecular weight of 273.06 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluoro-1H-benzimidazol-4-yl)acetic acid is sourced from PubChem (CID 131501525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).