5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one

C18H14Cl2N2O2S — CID 4605919

IUPAC5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(N2C(=O)C(=Cc3cc(Cl)cc(Cl)c3O)NC2=S)cc1C
InChIInChI=1S/C18H14Cl2N2O2S/c1-9-3-4-13(5-10(9)2)22-17(24)15(21-18(22)25)7-11-6-12(19)8-14(20)16(11)23/h3-8,23H,1-2H3,(H,21,25)
InChIKeyMFAXVRICUHNFRC-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.58
Rot. Bonds2

About 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one

5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 4605919) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID4605919
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(N2C(=O)C(=Cc3cc(Cl)cc(Cl)c3O)NC2=S)cc1C
InChIInChI=1S/C18H14Cl2N2O2S/c1-9-3-4-13(5-10(9)2)22-17(24)15(21-18(22)25)7-11-6-12(19)8-14(20)16(11)23/h3-8,23H,1-2H3,(H,21,25)
InChIKeyMFAXVRICUHNFRC-UHFFFAOYSA-N
XLogP4.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 171988358
(5Z)-3-(3,4-dimethylphenyl)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 44714137
(5Z)-1-(3-bromophenyl)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5345892
5-[(2,4-diethoxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 1020242
(5Z)-5-[(2,4-diethoxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 1020243
(5Z)-3-(3,4-dimethylphenyl)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 37466880
(5Z)-3-(3-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6435145
(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 6445774
(5E)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 126047889
2-[3-[(Z)-[1-(3,4-dimethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]indol-1-yl]-N,N-diethylacetamide
CID 44714048
(5E)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1487296
1-(4-chlorophenyl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91598378

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 4605919) is 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one is Cc1ccc(N2C(=O)C(=Cc3cc(Cl)cc(Cl)c3O)NC2=S)cc1C.
What is the InChIKey of 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is MFAXVRICUHNFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-9-3-4-13(5-10(9)2)22-17(24)15(21-18(22)25)7-11-6-12(19)8-14(20)16(11)23/h3-8,23H,1-2H3,(H,21,25).
What are the key properties of 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one?
5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 393.30 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4605919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).