3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid

C13H13FN2O2 — CID 103551613

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C13H13FN2O2/c14-9-3-4-10-11(6-9)16-12(15-10)7-1-2-8(5-7)13(17)18/h3-4,6-8H,1-2,5H2,(H,15,16)(H,17,18)
InChIKeyBAIFCJVMOPHDFK-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.67
Rot. Bonds2

About 3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid

3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 103551613) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID103551613
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C13H13FN2O2/c14-9-3-4-10-11(6-9)16-12(15-10)7-1-2-8(5-7)13(17)18/h3-4,6-8H,1-2,5H2,(H,15,16)(H,17,18)
InChIKeyBAIFCJVMOPHDFK-UHFFFAOYSA-N
XLogP2.67
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551644
2-(6-fluoro-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60785476
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551600
5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117431127
1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 84614259
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 166618672
2-(6-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 64812865
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
CID 137190164
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
4-(2-cyclopropyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052773

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid (CID 103551613) is 3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2nc3ccc(F)cc3[nH]2)C1.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is BAIFCJVMOPHDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-9-3-4-10-11(6-9)16-12(15-10)7-1-2-8(5-7)13(17)18/h3-4,6-8H,1-2,5H2,(H,15,16)(H,17,18).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).