3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid

C14H7F3N2O2 — CID 82774507

IUPAC3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3cc(F)cc(F)c3F)c2c1
InChIInChI=1S/C14H7F3N2O2/c15-8-4-9(16)13(17)12(5-8)19-6-18-10-2-1-7(14(20)21)3-11(10)19/h1-6H,(H,20,21)
InChIKeyYZGUPDMKUGJWFU-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.14
Rot. Bonds2

About 3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid

3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 82774507) has the molecular formula C14H7F3N2O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID82774507
Molecular FormulaC14H7F3N2O2
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3cc(F)cc(F)c3F)c2c1
InChIInChI=1S/C14H7F3N2O2/c15-8-4-9(16)13(17)12(5-8)19-6-18-10-2-1-7(14(20)21)3-11(10)19/h1-6H,(H,20,21)
InChIKeyYZGUPDMKUGJWFU-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid (CID 82774507) is 3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(-c3cc(F)cc(F)c3F)c2c1.
What is the InChIKey of 3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is YZGUPDMKUGJWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2/c15-8-4-9(16)13(17)12(5-8)19-6-18-10-2-1-7(14(20)21)3-11(10)19/h1-6H,(H,20,21).
What are the key properties of 3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid?
3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 292.22 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82774507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).