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

C13H14N2O2S — CID 62415191

IUPAC2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2n1C1CCC1
InChIInChI=1S/C13H14N2O2S/c16-12(17)8-18-13-14-10-6-1-2-7-11(10)15(13)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,16,17)
InChIKeySRNKQYNTTBGWCB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.94
Rot. Bonds4

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

2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 62415191) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID62415191
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccccc2n1C1CCC1
InChIInChI=1S/C13H14N2O2S/c16-12(17)8-18-13-14-10-6-1-2-7-11(10)15(13)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,16,17)
InChIKeySRNKQYNTTBGWCB-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.94
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-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-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid
CID 62532208
2-[1-(dicyclopropylmethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 61482773
2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271892
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)sulfanylacetic acid
CID 54920837
2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40972087
2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide
CID 41480326
2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 115322054

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid (CID 62415191) is 2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2ccccc2n1C1CCC1.
What is the InChIKey of 2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is SRNKQYNTTBGWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-12(17)8-18-13-14-10-6-1-2-7-11(10)15(13)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,16,17).
What are the key properties of 2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid?
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 262.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 62415191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).