(5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one

C17H12Cl3N3O — CID 135470417

IUPAC(5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccc(Cl)cc2)N/C1=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl3N3O/c18-11-6-4-10(5-7-11)9-21-17-22-15(16(24)23-17)8-12-13(19)2-1-3-14(12)20/h1-8H,9H2,(H2,21,22,23,24)/b15-8+
InChIKeyALIUFDVKJOGRQH-OVCLIPMQSA-N
MW380.66 g/mol
LogP4.26
Rot. Bonds3

About (5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one

(5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one (PubChem CID 135470417) has the molecular formula C17H12Cl3N3O and a molecular weight of 380.66 g/mol. Its IUPAC name is (5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one
PubChem CID135470417
Molecular FormulaC17H12Cl3N3O
Molecular Weight380.66 g/mol
Exact Mass379.00
IUPAC Name(5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccc(Cl)cc2)N/C1=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl3N3O/c18-11-6-4-10(5-7-11)9-21-17-22-15(16(24)23-17)8-12-13(19)2-1-3-14(12)20/h1-8H,9H2,(H2,21,22,23,24)/b15-8+
InChIKeyALIUFDVKJOGRQH-OVCLIPMQSA-N
XLogP4.26
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(2,6-dichlorophenyl)methylidene]imidazolidine-2,4-dione
CID 15716902
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 697026
5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 2913509
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6269109
3-[[(4Z)-4-[(2-chlorophenyl)methylidene]-5-oxoimidazolidin-2-ylidene]amino]propanoic acid
CID 135544563
(5Z)-5-[(2-chlorophenyl)methylidene]-2-(2,4-dichlorophenyl)iminoimidazolidin-4-one
CID 135499613
ethyl 2-[[(4Z)-4-[(3-chlorophenyl)methylidene]-5-oxoimidazolidin-2-ylidene]amino]acetate
CID 136739955
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
1-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90957087
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5411550
(5Z)-5-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 9447641
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one?
The IUPAC name of (5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one (CID 135470417) is (5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one.
What is the SMILES notation for (5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one?
The canonical SMILES for (5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one is O=C1N/C(=N\Cc2ccc(Cl)cc2)N/C1=C/c1c(Cl)cccc1Cl.
What is the InChIKey of (5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one?
The InChIKey is ALIUFDVKJOGRQH-OVCLIPMQSA-N. The full InChI is InChI=1S/C17H12Cl3N3O/c18-11-6-4-10(5-7-11)9-21-17-22-15(16(24)23-17)8-12-13(19)2-1-3-14(12)20/h1-8H,9H2,(H2,21,22,23,24)/b15-8+.
What are the key properties of (5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one?
(5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one has a molecular weight of 380.66 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one is sourced from PubChem (CID 135470417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).