2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid

C15H17FN2O2 — CID 60783416

IUPAC2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCn1c(C2CCCCC2C(=O)O)nc2cc(F)ccc21
InChIInChI=1S/C15H17FN2O2/c1-18-13-7-6-9(16)8-12(13)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,19,20)
InChIKeyGYYCVRRZMBBCEX-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.07
Rot. Bonds2

About 2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid

2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 60783416) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID60783416
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCn1c(C2CCCCC2C(=O)O)nc2cc(F)ccc21
InChIInChI=1S/C15H17FN2O2/c1-18-13-7-6-9(16)8-12(13)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,19,20)
InChIKeyGYYCVRRZMBBCEX-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic 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-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid (CID 60783416) is 2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid is Cn1c(C2CCCCC2C(=O)O)nc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is GYYCVRRZMBBCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-18-13-7-6-9(16)8-12(13)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,19,20).
What are the key properties of 2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid?
2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60783416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).