2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone

C14H18N2OS — CID 82052710

IUPAC2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone
SMILESCCCc1nc2ccc(C(=O)CSCC)cc2[nH]1
InChIInChI=1S/C14H18N2OS/c1-3-5-14-15-11-7-6-10(8-12(11)16-14)13(17)9-18-4-2/h6-8H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyFZRKGWWZEVORGW-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.45
Rot. Bonds6

About 2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone

2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone (PubChem CID 82052710) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone
PubChem CID82052710
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone
SMILESCCCc1nc2ccc(C(=O)CSCC)cc2[nH]1
InChIInChI=1S/C14H18N2OS/c1-3-5-14-15-11-7-6-10(8-12(11)16-14)13(17)9-18-4-2/h6-8H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyFZRKGWWZEVORGW-UHFFFAOYSA-N
XLogP3.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-3H-benzimidazol-5-yl)-2-ethylsulfanylethanone
CID 82052672
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
CID 82052673
2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764
6-methylsulfanyl-2-propyl-1H-benzimidazole
CID 25213187
2-propyl-3H-benzimidazole-5-carbaldehyde
CID 45077925
2-(3,3-dimethylbutyl)-3H-benzimidazole-5-carboxylic acid
CID 11288070
1-(2-ethyl-3H-benzimidazol-5-yl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052648
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
2-ethylsulfanyl-1-phenylethanone
CID 2776060
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 11381456
[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 79204635

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone?
The IUPAC name of 2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone (CID 82052710) is 2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone is CCCc1nc2ccc(C(=O)CSCC)cc2[nH]1.
What is the InChIKey of 2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone?
The InChIKey is FZRKGWWZEVORGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-5-14-15-11-7-6-10(8-12(11)16-14)13(17)9-18-4-2/h6-8H,3-5,9H2,1-2H3,(H,15,16).
What are the key properties of 2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone?
2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone has a molecular weight of 262.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 82052710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).