2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid

C14H14N2O2S — CID 113475637

IUPAC2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2n1C1CC=CC1
InChIInChI=1S/C14H14N2O2S/c17-13(18)9-19-14-15-11-7-3-4-8-12(11)16(14)10-5-1-2-6-10/h1-4,7-8,10H,5-6,9H2,(H,17,18)
InChIKeyYMNLLZDHDDMZCU-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.10
Rot. Bonds4

About 2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid

2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 113475637) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID113475637
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2n1C1CC=CC1
InChIInChI=1S/C14H14N2O2S/c17-13(18)9-19-14-15-11-7-3-4-8-12(11)16(14)10-5-1-2-6-10/h1-4,7-8,10H,5-6,9H2,(H,17,18)
InChIKeyYMNLLZDHDDMZCU-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 61482773
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-[1-(2-methylsulfanylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 113466694
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154
2-(1-cyclohexyl-5-iodobenzimidazol-2-yl)sulfanylacetic acid
CID 66080161
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid
CID 54920837
2-[1-[2-(methylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 43310650
2-[1-(3,3-dimethylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 104828968

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid (CID 113475637) is 2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2ccccc2n1C1CC=CC1.
What is the InChIKey of 2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is YMNLLZDHDDMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-13(18)9-19-14-15-11-7-3-4-8-12(11)16(14)10-5-1-2-6-10/h1-4,7-8,10H,5-6,9H2,(H,17,18).
What are the key properties of 2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid?
2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 274.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 113475637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).