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

C17H22N2OS — CID 82052673

IUPAC2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
SMILESCCc1nc2ccc(C(=O)CSC3CCCCC3)cc2[nH]1
InChIInChI=1S/C17H22N2OS/c1-2-17-18-14-9-8-12(10-15(14)19-17)16(20)11-21-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,19)
InChIKeyFJRFDHNSSYMRIG-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.37
Rot. Bonds5

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

2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone (PubChem CID 82052673) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
PubChem CID82052673
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
SMILESCCc1nc2ccc(C(=O)CSC3CCCCC3)cc2[nH]1
InChIInChI=1S/C17H22N2OS/c1-2-17-18-14-9-8-12(10-15(14)19-17)16(20)11-21-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,19)
InChIKeyFJRFDHNSSYMRIG-UHFFFAOYSA-N
XLogP4.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone
CID 82052807
1-(2-ethyl-3H-benzimidazol-5-yl)-2-ethylsulfanylethanone
CID 82052672
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
1-(3-bromophenyl)-2-cyclohexylsulfanylethanone
CID 60645355
2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone
CID 82052710
(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82499869
1-(2-ethyl-3H-benzimidazol-5-yl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052648
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
CID 82052662
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110800078
methyl 4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 110803344

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone (CID 82052673) is 2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone is CCc1nc2ccc(C(=O)CSC3CCCCC3)cc2[nH]1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone?
The InChIKey is FJRFDHNSSYMRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-17-18-14-9-8-12(10-15(14)19-17)16(20)11-21-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H,18,19).
What are the key properties of 2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone?
2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone has a molecular weight of 302.44 g/mol, XLogP of 4.37, 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-ethyl-3H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 82052673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).