(Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one

C17H11Cl2N3O — CID 6310289

IUPAC(Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C(=C/c1cccnc1)n1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2N3O/c18-13-3-4-14(15(19)9-13)17(23)16(22-7-6-21-11-22)8-12-2-1-5-20-10-12/h1-11H/b16-8-
InChIKeyGVTJUSROWZXILI-PXNMLYILSA-N
MW344.20 g/mol
LogP4.47
Rot. Bonds4

About (Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one

(Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 6310289) has the molecular formula C17H11Cl2N3O and a molecular weight of 344.20 g/mol. Its IUPAC name is (Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one
PubChem CID6310289
Molecular FormulaC17H11Cl2N3O
Molecular Weight344.20 g/mol
Exact Mass343.03
IUPAC Name(Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C(=C/c1cccnc1)n1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2N3O/c18-13-3-4-14(15(19)9-13)17(23)16(22-7-6-21-11-22)8-12-2-1-5-20-10-12/h1-11H/b16-8-
InChIKeyGVTJUSROWZXILI-PXNMLYILSA-N
XLogP4.47
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one
CID 32232
(2,3-Dichlorophenyl)(1-((4,4-difluoropiperidin-1-yl)methyl)imidazo[1,5-a]pyridin-3-yl)methanone
CID 54582173
(4-Chlorophenyl)(7-methylimidazo(1,2-A)pyridin-3-YL)methanone
CID 3776081
Aminoimidazo[1,2-a]pyridine deriv. 42
CID 5330618
Aminoimidazo[1,2-a]pyridine deriv. 12
CID 5330634
3-(2-benzoyl-1H-imidazol-1-yl)-6-chloropyridazine
CID 6401181
3-(4-Chloro-phenyl)-1-(2-oxo-2-phenyl-ethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
CID 16681988
(4-Chlorophenyl)(imidazo[1,2-a]pyridin-3-yl)methanone
CID 1484079
(2,4-dichlorophenyl)-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 90408922
2-Benzoimidazol-1-yl-1-(4-chloro-phenyl)-ethanone
CID 2992089
1-(4-chlorophenyl)-2-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-imidazol-2-yl}sulfanyl)-1-ethanone
CID 1476513
(e)-1-(4-(1h-Imidazole-1-yl)phenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 10593459

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one (CID 6310289) is (Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one is O=C(/C(=C/c1cccnc1)n1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is GVTJUSROWZXILI-PXNMLYILSA-N. The full InChI is InChI=1S/C17H11Cl2N3O/c18-13-3-4-14(15(19)9-13)17(23)16(22-7-6-21-11-22)8-12-2-1-5-20-10-12/h1-11H/b16-8-.
What are the key properties of (Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one?
(Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 344.20 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 6310289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).