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

C15H11FN2O2 — CID 63032815

IUPAC2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(Cc3ccc(F)cc3)nc12
InChIInChI=1S/C15H11FN2O2/c16-10-6-4-9(5-7-10)8-13-17-12-3-1-2-11(15(19)20)14(12)18-13/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyHIRBSSOQHIVCMI-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.99
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 63032815) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
PubChem CID63032815
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(Cc3ccc(F)cc3)nc12
InChIInChI=1S/C15H11FN2O2/c16-10-6-4-9(5-7-10)8-13-17-12-3-1-2-11(15(19)20)14(12)18-13/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyHIRBSSOQHIVCMI-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid (CID 63032815) is 2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(Cc3ccc(F)cc3)nc12.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is HIRBSSOQHIVCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-10-6-4-9(5-7-10)8-13-17-12-3-1-2-11(15(19)20)14(12)18-13/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid?
2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 63032815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).