5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane

C32H36Cl2N2 — CID 143665311

IUPAC5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane
SMILESC.C=C(C)/C=C(/c1cccc(Cl)c1)c1cc(C(c2ccc(Cl)cc2)c2cncn2C)ccc1C.CC
InChIInChI=1S/C29H26Cl2N2.C2H6.CH4/c1-19(2)14-27(22-6-5-7-25(31)15-22)26-16-23(9-8-20(26)3)29(28-17-32-18-33(28)4)21-10-12-24(30)13-11-21;1-2;/h5-18,29H,1H2,2-4H3;1-2H3;1H4/b27-14-;;
InChIKeyJWTDFLYDAIKOKY-HAGSHMGVSA-N
MW519.56 g/mol
LogP9.89
Rot. Bonds6

About 5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane

5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane (PubChem CID 143665311) has the molecular formula C32H36Cl2N2 and a molecular weight of 519.56 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane.

Molecular Properties

Compound Name5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane
PubChem CID143665311
Molecular FormulaC32H36Cl2N2
Molecular Weight519.56 g/mol
Exact Mass518.23
IUPAC Name5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane
SMILESC.C=C(C)/C=C(/c1cccc(Cl)c1)c1cc(C(c2ccc(Cl)cc2)c2cncn2C)ccc1C.CC
InChIInChI=1S/C29H26Cl2N2.C2H6.CH4/c1-19(2)14-27(22-6-5-7-25(31)15-22)26-16-23(9-8-20(26)3)29(28-17-32-18-33(28)4)21-10-12-24(30)13-11-21;1-2;/h5-18,29H,1H2,2-4H3;1-2H3;1H4/b27-14-;;
InChIKeyJWTDFLYDAIKOKY-HAGSHMGVSA-N
XLogP9.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.56
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-Chlorophenyl)-2-(o-tolyl)propyl]imidazole
CID 3006885
1-[1-[(4-Chlorophenyl)methyl]-2-(4-phenylphenyl)ethyl]imidazole
CID 510047
Chlordiphenyl benzylimidazole
CID 129689450
4-[[3-[[2-Chloro-4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
CID 18779148
4-[[3-[[2-Chloro-4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 18779149
1-[(4-Chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]imidazole
CID 23368308
CID 67927486
CID 67927486
5-[1-(3-Chloro-2-fluorophenyl)ethyl]-1-tritylimidazole
CID 71049713
4-[[3-[[2-Chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
CID 140409375
4-(2,4-Dichlorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
CID 141121301
2-[1-(3-Chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)cyclohexyl]-1-methylimidazole-4-carbonitrile
CID 174663417
N-(4-chlorobenzyl)-1-methyl-5-(4-methylphenyl)-1H-imidazol-2-amine
CID 3635985

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane?
The IUPAC name of 5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane (CID 143665311) is 5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane.
What is the SMILES notation for 5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane?
The canonical SMILES for 5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane is C.C=C(C)/C=C(/c1cccc(Cl)c1)c1cc(C(c2ccc(Cl)cc2)c2cncn2C)ccc1C.CC.
What is the InChIKey of 5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane?
The InChIKey is JWTDFLYDAIKOKY-HAGSHMGVSA-N. The full InChI is InChI=1S/C29H26Cl2N2.C2H6.CH4/c1-19(2)14-27(22-6-5-7-25(31)15-22)26-16-23(9-8-20(26)3)29(28-17-32-18-33(28)4)21-10-12-24(30)13-11-21;1-2;/h5-18,29H,1H2,2-4H3;1-2H3;1H4/b27-14-;;.
What are the key properties of 5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane?
5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane has a molecular weight of 519.56 g/mol, XLogP of 9.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane is sourced from PubChem (CID 143665311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).