2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid

C15H17FN2O2 — CID 114391706

IUPAC2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc3cc(F)ccc3n2C)C1
InChIInChI=1S/C15H17FN2O2/c1-8-5-10(11(6-8)15(19)20)14-17-12-7-9(16)3-4-13(12)18(14)2/h3-4,7-8,10-11H,5-6H2,1-2H3,(H,19,20)
InChIKeyXHLQXJCOZNSCJZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.93
Rot. Bonds2

About 2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid

2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391706) 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)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391706
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc3cc(F)ccc3n2C)C1
InChIInChI=1S/C15H17FN2O2/c1-8-5-10(11(6-8)15(19)20)14-17-12-7-9(16)3-4-13(12)18(14)2/h3-4,7-8,10-11H,5-6H2,1-2H3,(H,19,20)
InChIKeyXHLQXJCOZNSCJZ-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-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

Related Compounds

2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60783416
2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391714
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid
CID 82310169
(1S,6R)-6-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 104962914
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
CID 83857852
4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 114392958
2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 43661245
2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 54918802
2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60791241
4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
CID 114392985

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid (CID 114391706) is 2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(c2nc3cc(F)ccc3n2C)C1.
What is the InChIKey of 2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is XHLQXJCOZNSCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-8-5-10(11(6-8)15(19)20)14-17-12-7-9(16)3-4-13(12)18(14)2/h3-4,7-8,10-11H,5-6H2,1-2H3,(H,19,20).
What are the key properties of 2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid?
2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of 2.93, 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)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).