2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone

C15H18N2OS — CID 113341185

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)C1CCCCC1
InChIInChI=1S/C15H18N2OS/c18-14(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-13(12)17-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyAYZBAWSOKILGKB-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.80
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone (PubChem CID 113341185) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone
PubChem CID113341185
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)C1CCCCC1
InChIInChI=1S/C15H18N2OS/c18-14(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-13(12)17-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyAYZBAWSOKILGKB-UHFFFAOYSA-N
XLogP3.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone
CID 104752329
2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 86982265
2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide
CID 680651
2-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656471
2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride
CID 126475917
4-(1H-benzimidazol-2-ylsulfanyl)-3-oxo-2-phenylbutanenitrile
CID 4826206
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
CID 2436081
2-(1H-benzimidazol-2-yl)-3-cyclohexyl-3-oxopropanenitrile
CID 2999322
3-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 720877
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7374599
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 4520418

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone (CID 113341185) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone is O=C(CSc1nc2ccccc2[nH]1)C1CCCCC1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone?
The InChIKey is AYZBAWSOKILGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-14(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-13(12)17-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone has a molecular weight of 274.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone is sourced from PubChem (CID 113341185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).