2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid

C14H9FN2O2 — CID 17010630

IUPAC2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)
InChIKeyYLECAKVNZMDMNS-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.07
Rot. Bonds2

About 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid

2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 17010630) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID17010630
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)
InChIKeyYLECAKVNZMDMNS-UHFFFAOYSA-N
XLogP3.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid (CID 17010630) is 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is YLECAKVNZMDMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid?
2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 256.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 17010630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).