1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone

C12H11ClN2OS — CID 724945

IUPAC1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCn1ccnc1SCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS/c1-15-7-6-14-12(15)17-8-11(16)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3
InChIKeyTVPWJTHNUYRPAI-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone

1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone (PubChem CID 724945) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
PubChem CID724945
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCn1ccnc1SCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS/c1-15-7-6-14-12(15)17-8-11(16)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3
InChIKeyTVPWJTHNUYRPAI-UHFFFAOYSA-N
XLogP3.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 43412452
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
CID 40511037
1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 43226508
(2R)-1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one
CID 51681969
2-(1-methylimidazol-2-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 4138789
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone
CID 75464250
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 33299887
4-chloro-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoic acid
CID 45293920
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone
CID 110656771
1-(2,5-diethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 52887676

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone (CID 724945) is 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone is Cn1ccnc1SCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
The InChIKey is TVPWJTHNUYRPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-15-7-6-14-12(15)17-8-11(16)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone?
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone has a molecular weight of 266.75 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 724945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).