2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid

C12H11FN2O2S — CID 54920837

IUPAC2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C12H11FN2O2S/c13-8-2-1-3-9-11(8)14-12(18-6-10(16)17)15(9)7-4-5-7/h1-3,7H,4-6H2,(H,16,17)
InChIKeyJHTSHPFAHPUYHN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.69
Rot. Bonds4

About 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid

2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 54920837) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid
PubChem CID54920837
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C12H11FN2O2S/c13-8-2-1-3-9-11(8)14-12(18-6-10(16)17)15(9)7-4-5-7/h1-3,7H,4-6H2,(H,16,17)
InChIKeyJHTSHPFAHPUYHN-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic 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-[4-fluoro-1-(thiolan-3-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 107297122
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
(1-cyclopropyl-4-fluorobenzimidazol-2-yl)methanol
CID 63756402
2-[4-fluoro-1-(3-methylbut-2-enyl)benzimidazol-2-yl]sulfanylacetic acid
CID 106188586
2-[4-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 60789741
2-(4-fluoro-1-thiophen-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 66351948
2-[4-fluoro-1-(2-methylpentan-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 61472464
2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 113475637
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid
CID 62532208
2-[1-(2,2-dimethylcyclopropyl)-4,6-difluorobenzimidazol-2-yl]sulfanylacetic acid
CID 115508529

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid (CID 54920837) is 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2c(F)cccc2n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is JHTSHPFAHPUYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-8-2-1-3-9-11(8)14-12(18-6-10(16)17)15(9)7-4-5-7/h1-3,7H,4-6H2,(H,16,17).
What are the key properties of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid?
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 266.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 54920837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).