3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one

C18H14Cl2N2OS — CID 2726722

IUPAC3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one
SMILESCSC1=NC(=Cc2ccccc2Cl)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2OS/c1-24-18-21-16(10-13-4-2-3-5-15(13)20)17(23)22(18)11-12-6-8-14(19)9-7-12/h2-10H,11H2,1H3
InChIKeyIGKGMXRXIDAYJF-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.10
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one

3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one (PubChem CID 2726722) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one
PubChem CID2726722
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC Name3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one
SMILESCSC1=NC(=Cc2ccccc2Cl)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2OS/c1-24-18-21-16(10-13-4-2-3-5-15(13)20)17(23)22(18)11-12-6-8-14(19)9-7-12/h2-10H,11H2,1H3
InChIKeyIGKGMXRXIDAYJF-UHFFFAOYSA-N
XLogP5.10
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-Chlorophenyl)-7-methyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one
CID 319068
(5R,6S)-5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006829
5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 71716776
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 70694972
[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 71453054
N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 2549596
1,5-Bis[(4-chlorophenyl)methyl]-4-methylsulfanyl-6,7-dihydro-1,3,5-triazepin-2-one
CID 10740196
3-(4-chlorophenyl)-5H-imidazo[2,1-b][1,3]thiazol-6-one
CID 76314481
(5Z)-3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 5702436
3-(4-Chlorophenyl)-7-phenyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one
CID 630853
(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 90667665
1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one
CID 2726685

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one (CID 2726722) is 3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one is CSC1=NC(=Cc2ccccc2Cl)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one?
The InChIKey is IGKGMXRXIDAYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-24-18-21-16(10-13-4-2-3-5-15(13)20)17(23)22(18)11-12-6-8-14(19)9-7-12/h2-10H,11H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one?
3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one has a molecular weight of 377.30 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one is sourced from PubChem (CID 2726722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).