3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid

C15H10BrFN2O2 — CID 82769925

IUPAC3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1-c1ccc(F)cc1Br
InChIInChI=1S/C15H10BrFN2O2/c1-8-18-12-4-2-9(15(20)21)6-14(12)19(8)13-5-3-10(17)7-11(13)16/h2-7H,1H3,(H,20,21)
InChIKeyHSOVHIPHWIMIPG-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.93
Rot. Bonds2

About 3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid

3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 82769925) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID82769925
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1-c1ccc(F)cc1Br
InChIInChI=1S/C15H10BrFN2O2/c1-8-18-12-4-2-9(15(20)21)6-14(12)19(8)13-5-3-10(17)7-11(13)16/h2-7H,1H3,(H,20,21)
InChIKeyHSOVHIPHWIMIPG-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid (CID 82769925) is 3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2n1-c1ccc(F)cc1Br.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is HSOVHIPHWIMIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-8-18-12-4-2-9(15(20)21)6-14(12)19(8)13-5-3-10(17)7-11(13)16/h2-7H,1H3,(H,20,21).
What are the key properties of 3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 349.16 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82769925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).