2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol

C15H20N2OS — CID 720880

IUPAC2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol
SMILESOCCn1c(SC2CCCCC2)nc2ccccc21
InChIInChI=1S/C15H20N2OS/c18-11-10-17-14-9-5-4-8-13(14)16-15(17)19-12-6-2-1-3-7-12/h4-5,8-9,12,18H,1-3,6-7,10-11H2
InChIKeyVMBXJKYZVIDSMF-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.45
Rot. Bonds4

About 2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol

2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol (PubChem CID 720880) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol
PubChem CID720880
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol
SMILESOCCn1c(SC2CCCCC2)nc2ccccc21
InChIInChI=1S/C15H20N2OS/c18-11-10-17-14-9-5-4-8-13(14)16-15(17)19-12-6-2-1-3-7-12/h4-5,8-9,12,18H,1-3,6-7,10-11H2
InChIKeyVMBXJKYZVIDSMF-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclohexylsulfanylbenzimidazol-1-yl)-1-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 134700141
2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanol
CID 14013334
2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
CID 675063
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidin-1-yl]ethanamine
CID 14518042
2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol
CID 575539
2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol
CID 94757522
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
2-[2-(2-amino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-cyclohexylacetamide
CID 3224652
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol (CID 720880) is 2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol is OCCn1c(SC2CCCCC2)nc2ccccc21.
What is the InChIKey of 2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol?
The InChIKey is VMBXJKYZVIDSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-11-10-17-14-9-5-4-8-13(14)16-15(17)19-12-6-2-1-3-7-12/h4-5,8-9,12,18H,1-3,6-7,10-11H2.
What are the key properties of 2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol?
2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol has a molecular weight of 276.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 720880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).