(E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one

C18H11Cl3N2O — CID 10362254

IUPAC(E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one
SMILESO=C(/C(=C\c1cc(Cl)cc(Cl)c1)n1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H11Cl3N2O/c19-14-3-1-13(2-4-14)18(24)17(23-6-5-22-11-23)9-12-7-15(20)10-16(21)8-12/h1-11H/b17-9+
InChIKeyGTSVVUKPGWYDFJ-RQZCQDPDSA-N
MW377.66 g/mol
LogP5.72
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one

(E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one (PubChem CID 10362254) has the molecular formula C18H11Cl3N2O and a molecular weight of 377.66 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one
PubChem CID10362254
Molecular FormulaC18H11Cl3N2O
Molecular Weight377.66 g/mol
Exact Mass375.99
IUPAC Name(E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one
SMILESO=C(/C(=C\c1cc(Cl)cc(Cl)c1)n1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H11Cl3N2O/c19-14-3-1-13(2-4-14)18(24)17(23-6-5-22-11-23)9-12-7-15(20)10-16(21)8-12/h1-11H/b17-9+
InChIKeyGTSVVUKPGWYDFJ-RQZCQDPDSA-N
XLogP5.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.66
LogP ≤ 55.72
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

(2Z,4E)-5-(4-bromophenyl)-1-(4-chlorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one
CID 74762691
(E)-3-(4-chlorophenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 15890236
3-(4-chlorophenyl)-1-imidazol-1-yl-4,4-dimethylpent-2-en-1-one
CID 70453690
N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
(2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone
CID 3002001
(2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one
CID 74763765
(Z)-3-(3-bromophenyl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 15396688
CID 11611429
CID 11611429
(5-chloro-2-methoxyphenyl)-imidazol-1-ylmethanone
CID 68987646
(4-ethenylphenyl)-imidazol-1-ylmethanone
CID 140908417
[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone
CID 59566547
N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide
CID 81257477

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one (CID 10362254) is (E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one is O=C(/C(=C\c1cc(Cl)cc(Cl)c1)n1ccnc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one?
The InChIKey is GTSVVUKPGWYDFJ-RQZCQDPDSA-N. The full InChI is InChI=1S/C18H11Cl3N2O/c19-14-3-1-13(2-4-14)18(24)17(23-6-5-22-11-23)9-12-7-15(20)10-16(21)8-12/h1-11H/b17-9+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one?
(E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one has a molecular weight of 377.66 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one is sourced from PubChem (CID 10362254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).