1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid

C14H8BrFN2O2 — CID 43566681

IUPAC1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1cc(Br)ccc1F
InChIInChI=1S/C14H8BrFN2O2/c15-9-2-3-10(16)13(6-9)18-7-17-11-5-8(14(19)20)1-4-12(11)18/h1-7H,(H,19,20)
InChIKeyJJFSXCPLLRQPGP-UHFFFAOYSA-N
MW335.13 g/mol
LogP3.63
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid

1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 43566681) has the molecular formula C14H8BrFN2O2 and a molecular weight of 335.13 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID43566681
Molecular FormulaC14H8BrFN2O2
Molecular Weight335.13 g/mol
Exact Mass333.98
IUPAC Name1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1cc(Br)ccc1F
InChIInChI=1S/C14H8BrFN2O2/c15-9-2-3-10(16)13(6-9)18-7-17-11-5-8(14(19)20)1-4-12(11)18/h1-7H,(H,19,20)
InChIKeyJJFSXCPLLRQPGP-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790695
1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
CID 43806541
4-(5-bromobenzimidazol-1-yl)benzoic acid
CID 167161055
1-(2-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 43566633
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid
CID 107368788
1-(3-cyano-4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 62315454
1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 83078714
3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790998
3-(4-bromo-2-cyanophenyl)benzimidazole-5-carboxylic acid
CID 82778261
1-(3-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 63547813
1-(4-bromophenyl)benzimidazole-5-carboxylate
CID 4525786

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid (CID 43566681) is 1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2-c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is JJFSXCPLLRQPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2/c15-9-2-3-10(16)13(6-9)18-7-17-11-5-8(14(19)20)1-4-12(11)18/h1-7H,(H,19,20).
What are the key properties of 1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid?
1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 335.13 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 43566681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).