(E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one

C18H12Cl2N2O — CID 10593459

IUPAC(E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H12Cl2N2O/c19-15-5-1-13(17(20)11-15)4-8-18(23)14-2-6-16(7-3-14)22-10-9-21-12-22/h1-12H/b8-4+
InChIKeyMRIUYDPHNYQGMY-XBXARRHUSA-N
MW343.21 g/mol
LogP5.08
Rot. Bonds4

About (E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one

(E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one (PubChem CID 10593459) has the molecular formula C18H12Cl2N2O and a molecular weight of 343.21 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
PubChem CID10593459
Molecular FormulaC18H12Cl2N2O
Molecular Weight343.21 g/mol
Exact Mass342.03
IUPAC Name(E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H12Cl2N2O/c19-15-5-1-13(17(20)11-15)4-8-18(23)14-2-6-16(7-3-14)22-10-9-21-12-22/h1-12H/b8-4+
InChIKeyMRIUYDPHNYQGMY-XBXARRHUSA-N
XLogP5.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.21
LogP ≤ 55.08
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

1-(4-(1H-Imidazol-1-yl)phenyl)ethanone
CID 82316
1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one
CID 32232
2-chloro-N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 18129604
3-methyl-1-{4-[4-(3-methyl-1H-imidazol-3-ium-1-yl)benzoyl]phenyl}-1H-imidazol-3-ium diiodide
CID 16413496
[4-(1H-imidazol-1-yl)phenyl](phenyl)methanone
CID 1222494
1-(4-chlorophenyl)-2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]-1-ethanone
CID 3755487
cyclopropyl-[4-(1H-imidazol-1-yl)phenyl]methanone
CID 13764011
N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide
CID 14664354
(2Z)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 6310289
1-(4-(2-methyl-1H-imidazol-1-yl)phenyl)ethan-1-one
CID 28414435
2-(2,4-Dichloro-phenyl)-3-(3-imidazol-1-yl-propyl)-3H-quinazolin-4-one
CID 1419600
2,4-Dichloro-N-[2-(3-imidazol-1-yl-propylcarbamoyl)-phenyl]-benzamide
CID 3133487

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one (CID 10593459) is (E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one?
The InChIKey is MRIUYDPHNYQGMY-XBXARRHUSA-N. The full InChI is InChI=1S/C18H12Cl2N2O/c19-15-5-1-13(17(20)11-15)4-8-18(23)14-2-6-16(7-3-14)22-10-9-21-12-22/h1-12H/b8-4+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one?
(E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one has a molecular weight of 343.21 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 10593459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).