(Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one

C20H17Cl2N3O — CID 18334953

IUPAC(Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one
SMILESCN(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)n1cnc(-c2ccccc2)c1
InChIInChI=1S/C20H17Cl2N3O/c1-24(2)12-19(20(26)16-9-8-15(21)10-17(16)22)25-11-18(23-13-25)14-6-4-3-5-7-14/h3-13H,1-2H3/b19-12-
InChIKeyMALVXNGMPNDCLY-UNOMPAQXSA-N
MW386.28 g/mol
LogP5.10
Rot. Bonds5

About (Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one

(Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one (PubChem CID 18334953) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is (Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one
PubChem CID18334953
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name(Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one
SMILESCN(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)n1cnc(-c2ccccc2)c1
InChIInChI=1S/C20H17Cl2N3O/c1-24(2)12-19(20(26)16-9-8-15(21)10-17(16)22)25-11-18(23-13-25)14-6-4-3-5-7-14/h3-13H,1-2H3/b19-12-
InChIKeyMALVXNGMPNDCLY-UNOMPAQXSA-N
XLogP5.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.10
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

5-chloro-1-[(Z)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]pyridin-2-one
CID 22142428
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 67019924
1-[(E)-1-(2,4-dichlorophenyl)-1-oxobut-2-en-2-yl]pyridin-2-one
CID 58630610
2-(2,4-dichlorophenyl)-3-(dimethylamino)-1-pyrazol-1-ylprop-2-en-1-one
CID 70207812
2-(2H-benzotriazol-4-yl)-1-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 69311210
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439
N-methyl-4-phenylimidazole-1-carboxamide
CID 66713962
methyl (E)-2-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-enoate
CID 127255917
4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide
CID 66682655
ethyl N-[(E)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]-N-(ethoxycarbonylamino)carbamate
CID 137368673
tert-butyl 4-phenylimidazole-1-carboxylate
CID 141103955
2,4-dichloro-N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydrazide
CID 2257109

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one (CID 18334953) is (Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one is CN(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)n1cnc(-c2ccccc2)c1.
What is the InChIKey of (Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one?
The InChIKey is MALVXNGMPNDCLY-UNOMPAQXSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-24(2)12-19(20(26)16-9-8-15(21)10-17(16)22)25-11-18(23-13-25)14-6-4-3-5-7-14/h3-13H,1-2H3/b19-12-.
What are the key properties of (Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one?
(Z)-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one has a molecular weight of 386.28 g/mol, XLogP of 5.10, 5 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)-3-(dimethylamino)-2-(4-phenylimidazol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 18334953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).