2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone

C18H22N2OS — CID 82052807

IUPAC2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone
SMILESO=C(CSC1CCCCC1)c1ccc2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C18H22N2OS/c21-17(11-22-14-4-2-1-3-5-14)13-8-9-15-16(10-13)20-18(19-15)12-6-7-12/h8-10,12,14H,1-7,11H2,(H,19,20)
InChIKeySFJFMYRXFOZCGW-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.69
Rot. Bonds5

About 2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone

2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone (PubChem CID 82052807) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone
PubChem CID82052807
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone
SMILESO=C(CSC1CCCCC1)c1ccc2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C18H22N2OS/c21-17(11-22-14-4-2-1-3-5-14)13-8-9-15-16(10-13)20-18(19-15)12-6-7-12/h8-10,12,14H,1-7,11H2,(H,19,20)
InChIKeySFJFMYRXFOZCGW-UHFFFAOYSA-N
XLogP4.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
CID 82052673
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 82052786
4-(2-cyclopropyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052773
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052784
1-(3-bromophenyl)-2-cyclohexylsulfanylethanone
CID 60645355
2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 2381216
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone (CID 82052807) is 2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone is O=C(CSC1CCCCC1)c1ccc2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone?
The InChIKey is SFJFMYRXFOZCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-17(11-22-14-4-2-1-3-5-14)13-8-9-15-16(10-13)20-18(19-15)12-6-7-12/h8-10,12,14H,1-7,11H2,(H,19,20).
What are the key properties of 2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone?
2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone has a molecular weight of 314.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 82052807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).