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

C17H13ClN2OS — CID 3755487

IUPAC1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
SMILESO=C(CSc1nccn1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2OS/c18-14-8-6-13(7-9-14)16(21)12-22-17-19-10-11-20(17)15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyCRPAGDMOCFZPKJ-UHFFFAOYSA-N
MW328.82 g/mol
LogP4.50
Rot. Bonds5

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

1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone (PubChem CID 3755487) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
PubChem CID3755487
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
SMILESO=C(CSc1nccn1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2OS/c18-14-8-6-13(7-9-14)16(21)12-22-17-19-10-11-20(17)15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyCRPAGDMOCFZPKJ-UHFFFAOYSA-N
XLogP4.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-chlorobenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477503
1-(4-Methylphenyl)-2-[(1-phenyl-2-imidazolyl)thio]ethanone
CID 4297783
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propylthio)-1H-imidazol-5-yl)methanone
CID 10177656
(4-chlorophenyl)(2-(3-(dimethylamino)propylthio)-1-methyl-1H-imidazol-5-yl)methanone
CID 11551796
(4-chlorophenyl)(1-methyl-2-(4-(piperidin-1-yl)butylthio)-1H-imidazol-5-yl)methanone
CID 11625318
1-(4-chlorophenyl)-2-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-imidazol-2-yl}sulfanyl)-1-ethanone
CID 1476513
(e)-1-(4-(1h-Imidazole-1-yl)phenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 10593459
1-(4-chlorobenzoyl)-4-{[4-(1H-imidazol-1-yl)phenyl]methyl}piperazine
CID 25022621
1-{4-[1-(4-Chloro-benzyl)-1H-benzoimidazol-2-ylsulfanylmethyl]-phenyl}-ethanone
CID 44338285
1-(4-Chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 16192925

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone (CID 3755487) is 1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone is O=C(CSc1nccn1-c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The InChIKey is CRPAGDMOCFZPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c18-14-8-6-13(7-9-14)16(21)12-22-17-19-10-11-20(17)15-4-2-1-3-5-15/h1-11H,12H2.
What are the key properties of 1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
1-(4-chlorophenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone has a molecular weight of 328.82 g/mol, XLogP of 4.50, 5 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-phenylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 3755487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).