1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol

C20H18Cl4N2O2 — CID 70500879

IUPAC1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol
SMILESClc1ccc(/C=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.OCCO
InChIInChI=1S/C18H12Cl4N2.C2H6O2/c19-14-2-1-12(17(21)8-14)7-13(10-24-6-5-23-11-24)16-4-3-15(20)9-18(16)22;3-1-2-4/h1-9,11H,10H2;3-4H,1-2H2/b13-7-;
InChIKeyGTFZLONUIXBRGN-QCCGTXRUSA-N
MW460.19 g/mol
LogP5.71
Rot. Bonds5

About 1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol

1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol (PubChem CID 70500879) has the molecular formula C20H18Cl4N2O2 and a molecular weight of 460.19 g/mol. Its IUPAC name is 1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol.

Molecular Properties

Compound Name1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol
PubChem CID70500879
Molecular FormulaC20H18Cl4N2O2
Molecular Weight460.19 g/mol
Exact Mass458.01
IUPAC Name1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol
SMILESClc1ccc(/C=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.OCCO
InChIInChI=1S/C18H12Cl4N2.C2H6O2/c19-14-2-1-12(17(21)8-14)7-13(10-24-6-5-23-11-24)16-4-3-15(20)9-18(16)22;3-1-2-4/h1-9,11H,10H2;3-4H,1-2H2/b13-7-;
InChIKeyGTFZLONUIXBRGN-QCCGTXRUSA-N
XLogP5.71
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.19
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine
CID 141174032
[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol
CID 70583033
1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
CID 57320594
azonic acid;1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 159230946
acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
(Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine
CID 139633662
1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole
CID 70462354
bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane
CID 13392449
(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
CID 13392416
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
bis[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-3-imidazol-1-ylprop-1-enyl] oxalate
CID 57052475
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzenecarbothioate
CID 21422277

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol?
The IUPAC name of 1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol (CID 70500879) is 1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol.
What is the SMILES notation for 1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol?
The canonical SMILES for 1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol is Clc1ccc(/C=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.OCCO.
What is the InChIKey of 1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol?
The InChIKey is GTFZLONUIXBRGN-QCCGTXRUSA-N. The full InChI is InChI=1S/C18H12Cl4N2.C2H6O2/c19-14-2-1-12(17(21)8-14)7-13(10-24-6-5-23-11-24)16-4-3-15(20)9-18(16)22;3-1-2-4/h1-9,11H,10H2;3-4H,1-2H2/b13-7-;.
What are the key properties of 1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol?
1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol has a molecular weight of 460.19 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol is sourced from PubChem (CID 70500879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).