2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid

C20H13FN2O2 — CID 46945791

IUPAC2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc12
InChIInChI=1S/C20H13FN2O2/c21-16-6-2-1-4-14(16)12-8-10-13(11-9-12)19-22-17-7-3-5-15(20(24)25)18(17)23-19/h1-11H,(H,22,23)(H,24,25)
InChIKeyTTZPIVMCIXWFFX-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.73
Rot. Bonds3

About 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid

2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 46945791) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
PubChem CID46945791
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc12
InChIInChI=1S/C20H13FN2O2/c21-16-6-2-1-4-14(16)12-8-10-13(11-9-12)19-22-17-7-3-5-15(20(24)25)18(17)23-19/h1-11H,(H,22,23)(H,24,25)
InChIKeyTTZPIVMCIXWFFX-UHFFFAOYSA-N
XLogP4.73
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (CID 46945791) is 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc12.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is TTZPIVMCIXWFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-16-6-2-1-4-14(16)12-8-10-13(11-9-12)19-22-17-7-3-5-15(20(24)25)18(17)23-19/h1-11H,(H,22,23)(H,24,25).
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 332.33 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46945791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).