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

C15H17FN2O2 — CID 114391714

IUPAC2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc3c(F)cccc3n2C)C1
InChIInChI=1S/C15H17FN2O2/c1-8-6-9(10(7-8)15(19)20)14-17-13-11(16)4-3-5-12(13)18(14)2/h3-5,8-10H,6-7H2,1-2H3,(H,19,20)
InChIKeyUTIIKTNXBZQMLW-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.93
Rot. Bonds2

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

2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391714) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391714
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(c2nc3c(F)cccc3n2C)C1
InChIInChI=1S/C15H17FN2O2/c1-8-6-9(10(7-8)15(19)20)14-17-13-11(16)4-3-5-12(13)18(14)2/h3-5,8-10H,6-7H2,1-2H3,(H,19,20)
InChIKeyUTIIKTNXBZQMLW-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

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Related Compounds

2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391706
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 60783351
2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976059
4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 114392958
2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60791241
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
CID 114392985
4-methyl-2-(4-methyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylic acid
CID 114391683
4-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]butanoic acid
CID 122058454
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114392968
2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole
CID 114427713

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid (CID 114391714) is 2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(c2nc3c(F)cccc3n2C)C1.
What is the InChIKey of 2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is UTIIKTNXBZQMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-8-6-9(10(7-8)15(19)20)14-17-13-11(16)4-3-5-12(13)18(14)2/h3-5,8-10H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid?
2-(4-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-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).