5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole

C29H24Cl2N2O — CID 142423499

IUPAC5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole
SMILESCOc1ccc(-c2ccc(N3C(C)C(c4ccc(Cl)cc4Cl)=NC3c3ccccc3)cc2)cc1
InChIInChI=1S/C29H24Cl2N2O/c1-19-28(26-17-12-23(30)18-27(26)31)32-29(22-6-4-3-5-7-22)33(19)24-13-8-20(9-14-24)21-10-15-25(34-2)16-11-21/h3-19,29H,1-2H3
InChIKeyMLRCXIJUFIWQOD-UHFFFAOYSA-N
MW487.43 g/mol
LogP8.07
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole

5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole (PubChem CID 142423499) has the molecular formula C29H24Cl2N2O and a molecular weight of 487.43 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole
PubChem CID142423499
Molecular FormulaC29H24Cl2N2O
Molecular Weight487.43 g/mol
Exact Mass486.13
IUPAC Name5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole
SMILESCOc1ccc(-c2ccc(N3C(C)C(c4ccc(Cl)cc4Cl)=NC3c3ccccc3)cc2)cc1
InChIInChI=1S/C29H24Cl2N2O/c1-19-28(26-17-12-23(30)18-27(26)31)32-29(22-6-4-3-5-7-22)33(19)24-13-8-20(9-14-24)21-10-15-25(34-2)16-11-21/h3-19,29H,1-2H3
InChIKeyMLRCXIJUFIWQOD-UHFFFAOYSA-N
XLogP8.07
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole (CID 142423499) is 5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole is COc1ccc(-c2ccc(N3C(C)C(c4ccc(Cl)cc4Cl)=NC3c3ccccc3)cc2)cc1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole?
The InChIKey is MLRCXIJUFIWQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2N2O/c1-19-28(26-17-12-23(30)18-27(26)31)32-29(22-6-4-3-5-7-22)33(19)24-13-8-20(9-14-24)21-10-15-25(34-2)16-11-21/h3-19,29H,1-2H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole?
5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole has a molecular weight of 487.43 g/mol, XLogP of 8.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)phenyl]-4-methyl-2-phenyl-2,4-dihydroimidazole is sourced from PubChem (CID 142423499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).