1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole

C28H26Cl2N2O — CID 58211809

IUPAC1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
SMILESCCCCn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H26Cl2N2O/c1-3-4-17-32-19-27(25-15-12-23(29)18-26(25)30)31-28(32)16-7-20-5-8-21(9-6-20)22-10-13-24(33-2)14-11-22/h5-16,18-19H,3-4,17H2,1-2H3/b16-7+
InChIKeyIYNBCDWPMNKHTR-FRKPEAEDSA-N
MW477.44 g/mol
LogP8.50
Rot. Bonds8

About 1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole

1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole (PubChem CID 58211809) has the molecular formula C28H26Cl2N2O and a molecular weight of 477.44 g/mol. Its IUPAC name is 1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
PubChem CID58211809
Molecular FormulaC28H26Cl2N2O
Molecular Weight477.44 g/mol
Exact Mass476.14
IUPAC Name1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
SMILESCCCCn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H26Cl2N2O/c1-3-4-17-32-19-27(25-15-12-23(29)18-26(25)30)31-28(32)16-7-20-5-8-21(9-6-20)22-10-13-24(33-2)14-11-22/h5-16,18-19H,3-4,17H2,1-2H3/b16-7+
InChIKeyIYNBCDWPMNKHTR-FRKPEAEDSA-N
XLogP8.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
The IUPAC name of 1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole (CID 58211809) is 1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
The canonical SMILES for 1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole is CCCCn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
The InChIKey is IYNBCDWPMNKHTR-FRKPEAEDSA-N. The full InChI is InChI=1S/C28H26Cl2N2O/c1-3-4-17-32-19-27(25-15-12-23(29)18-26(25)30)31-28(32)16-7-20-5-8-21(9-6-20)22-10-13-24(33-2)14-11-22/h5-16,18-19H,3-4,17H2,1-2H3/b16-7+.
What are the key properties of 1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole has a molecular weight of 477.44 g/mol, XLogP of 8.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,4-dichlorophenyl)-2-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole is sourced from PubChem (CID 58211809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).