1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone

C16H20N2OS — CID 52887676

IUPAC1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCCc1ccc(CC)c(C(=O)CSc2nccn2C)c1
InChIInChI=1S/C16H20N2OS/c1-4-12-6-7-13(5-2)14(10-12)15(19)11-20-16-17-8-9-18(16)3/h6-10H,4-5,11H2,1-3H3
InChIKeyVWMYDZQTSKKVEW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.52
Rot. Bonds6

About 1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone

1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone (PubChem CID 52887676) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
PubChem CID52887676
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCCc1ccc(CC)c(C(=O)CSc2nccn2C)c1
InChIInChI=1S/C16H20N2OS/c1-4-12-6-7-13(5-2)14(10-12)15(19)11-20-16-17-8-9-18(16)3/h6-10H,4-5,11H2,1-3H3
InChIKeyVWMYDZQTSKKVEW-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone
CID 110656771
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 724945
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 18075702
2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 43412452
1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 43226508
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 46758583
5-fluoro-2-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 63293008
2-[2-(1-methylimidazol-2-yl)sulfanylacetyl]benzo[f]chromen-3-one
CID 1247136
1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 7459222
2-(1-methylimidazol-2-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 4138789

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone (CID 52887676) is 1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone is CCc1ccc(CC)c(C(=O)CSc2nccn2C)c1.
What is the InChIKey of 1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The InChIKey is VWMYDZQTSKKVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-12-6-7-13(5-2)14(10-12)15(19)11-20-16-17-8-9-18(16)3/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone has a molecular weight of 288.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 52887676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).