2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid

C14H15ClN2O2S — CID 115470231

IUPAC2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccc(Cl)cc2n1C1CCCC1
InChIInChI=1S/C14H15ClN2O2S/c15-9-5-6-11-12(7-9)17(10-3-1-2-4-10)14(16-11)20-8-13(18)19/h5-7,10H,1-4,8H2,(H,18,19)
InChIKeyJDCPADJNIMPVHV-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.98
Rot. Bonds4

About 2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid

2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 115470231) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID115470231
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccc(Cl)cc2n1C1CCCC1
InChIInChI=1S/C14H15ClN2O2S/c15-9-5-6-11-12(7-9)17(10-3-1-2-4-10)14(16-11)20-8-13(18)19/h5-7,10H,1-4,8H2,(H,18,19)
InChIKeyJDCPADJNIMPVHV-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-cyclohexyl-5-iodobenzimidazol-2-yl)sulfanylacetic acid
CID 66080161
2-(6-chloro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470221
2-(6-chloro-1-piperidin-1-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 83017273
2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid
CID 62532208
2-[5-chloro-1-(thiolan-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 103063698
2-[5-chloro-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 61465053
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
2-[5-chloro-1-(5-oxopyrrolidin-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 106188695
2-[6-methyl-1-(3-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
CID 114548316
2-[6-chloro-1-(thiolan-3-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 107297137

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid (CID 115470231) is 2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2ccc(Cl)cc2n1C1CCCC1.
What is the InChIKey of 2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is JDCPADJNIMPVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-9-5-6-11-12(7-9)17(10-3-1-2-4-10)14(16-11)20-8-13(18)19/h5-7,10H,1-4,8H2,(H,18,19).
What are the key properties of 2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid?
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 310.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 115470231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).