2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid

C15H11FN2O2 — CID 82141996

IUPAC2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2nc(-c3ccccc3F)[nH]c2c1
InChIInChI=1S/C15H11FN2O2/c16-11-4-2-1-3-10(11)15-17-12-6-5-9(8-14(19)20)7-13(12)18-15/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeySVUQSNRRAVVBJF-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.00
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid

2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid (PubChem CID 82141996) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid
PubChem CID82141996
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2nc(-c3ccccc3F)[nH]c2c1
InChIInChI=1S/C15H11FN2O2/c16-11-4-2-1-3-10(11)15-17-12-6-5-9(8-14(19)20)7-13(12)18-15/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeySVUQSNRRAVVBJF-UHFFFAOYSA-N
XLogP3.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid
CID 71247346
[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004467
2-[3-(2,3-difluorophenyl)-4-fluorophenyl]acetic acid
CID 134630574
2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 46990564
N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 110773431
1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 157232904
(E)-but-2-enedioic acid;2-[2-[hydroxy(phenyl)methyl]-3H-benzimidazol-5-yl]acetic acid
CID 6446554
2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid
CID 82142003
[2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 82774776
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
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2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid (CID 82141996) is 2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid is O=C(O)Cc1ccc2nc(-c3ccccc3F)[nH]c2c1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid?
The InChIKey is SVUQSNRRAVVBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-11-4-2-1-3-10(11)15-17-12-6-5-9(8-14(19)20)7-13(12)18-15/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid?
2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid has a molecular weight of 270.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82141996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).