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

C14H16N2O2S — CID 29066136

IUPAC2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2n1C1CCCC1
InChIInChI=1S/C14H16N2O2S/c17-13(18)9-19-14-15-11-7-3-4-8-12(11)16(14)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)
InChIKeyMXXYDBFVKAEIFT-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.33
Rot. Bonds4

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

2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 29066136) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID29066136
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2n1C1CCCC1
InChIInChI=1S/C14H16N2O2S/c17-13(18)9-19-14-15-11-7-3-4-8-12(11)16(14)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)
InChIKeyMXXYDBFVKAEIFT-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
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-cyclohexyl-5-iodobenzimidazol-2-yl)sulfanylacetic acid
CID 66080161
1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone
CID 5298315
2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40972087
2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 115322054
2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide
CID 41480326
2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 61482773
4-(1-cyclohexylbenzimidazol-2-yl)sulfanylbutanenitrile
CID 39951673
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid
CID 54920837
2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525776

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid (CID 29066136) is 2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2ccccc2n1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is MXXYDBFVKAEIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13(18)9-19-14-15-11-7-3-4-8-12(11)16(14)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18).
What are the key properties of 2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid?
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 276.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 29066136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).