2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid

C13H13FN2O2 — CID 124926342

IUPAC2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(C2CCC2)nc2cc(F)ccc21
InChIInChI=1S/C13H13FN2O2/c14-9-4-5-11-10(6-9)15-13(8-2-1-3-8)16(11)7-12(17)18/h4-6,8H,1-3,7H2,(H,17,18)
InChIKeyHZGAWROFRIIEME-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.53
Rot. Bonds3

About 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid

2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid (PubChem CID 124926342) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid
PubChem CID124926342
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(C2CCC2)nc2cc(F)ccc21
InChIInChI=1S/C13H13FN2O2/c14-9-4-5-11-10(6-9)15-13(8-2-1-3-8)16(11)7-12(17)18/h4-6,8H,1-3,7H2,(H,17,18)
InChIKeyHZGAWROFRIIEME-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid (CID 124926342) is 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid is O=C(O)Cn1c(C2CCC2)nc2cc(F)ccc21.
What is the InChIKey of 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid?
The InChIKey is HZGAWROFRIIEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-9-4-5-11-10(6-9)15-13(8-2-1-3-8)16(11)7-12(17)18/h4-6,8H,1-3,7H2,(H,17,18).
What are the key properties of 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid?
2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid has a molecular weight of 248.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 124926342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).