1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid

C19H17FN2O2 — CID 23515701

IUPAC1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCC1
InChIInChI=1S/C19H17FN2O2/c20-14-5-3-4-12(10-14)18-21-16-11-13(19(23)24)8-9-17(16)22(18)15-6-1-2-7-15/h3-5,8-11,15H,1-2,6-7H2,(H,23,24)
InChIKeyPUXGHHXATCWGNW-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.66
Rot. Bonds3

About 1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid

1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 23515701) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID23515701
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCC1
InChIInChI=1S/C19H17FN2O2/c20-14-5-3-4-12(10-14)18-21-16-11-13(19(23)24)8-9-17(16)22(18)15-6-1-2-7-15/h3-5,8-11,15H,1-2,6-7H2,(H,23,24)
InChIKeyPUXGHHXATCWGNW-UHFFFAOYSA-N
XLogP4.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid (CID 23515701) is 1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is PUXGHHXATCWGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-14-5-3-4-12(10-14)18-21-16-11-13(19(23)24)8-9-17(16)22(18)15-6-1-2-7-15/h3-5,8-11,15H,1-2,6-7H2,(H,23,24).
What are the key properties of 1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 324.36 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 23515701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).