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

C31H30N2O2 — CID 166797832

IUPAC2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole
SMILESCOc1ccc(C2=NC(c3ccc(OC)cc3)N(c3ccc(-c4ccc(C)cc4)cc3)C2C)cc1
InChIInChI=1S/C31H30N2O2/c1-21-5-7-23(8-6-21)24-9-15-27(16-10-24)33-22(2)30(25-11-17-28(34-3)18-12-25)32-31(33)26-13-19-29(35-4)20-14-26/h5-20,22,31H,1-4H3
InChIKeyDYZCHWJMFPIGNB-UHFFFAOYSA-N
MW462.59 g/mol
LogP7.08
Rot. Bonds6

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

2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole (PubChem CID 166797832) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole
PubChem CID166797832
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole
SMILESCOc1ccc(C2=NC(c3ccc(OC)cc3)N(c3ccc(-c4ccc(C)cc4)cc3)C2C)cc1
InChIInChI=1S/C31H30N2O2/c1-21-5-7-23(8-6-21)24-9-15-27(16-10-24)33-22(2)30(25-11-17-28(34-3)18-12-25)32-31(33)26-13-19-29(35-4)20-14-26/h5-20,22,31H,1-4H3
InChIKeyDYZCHWJMFPIGNB-UHFFFAOYSA-N
XLogP7.08
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole?
The IUPAC name of 2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole (CID 166797832) is 2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole is COc1ccc(C2=NC(c3ccc(OC)cc3)N(c3ccc(-c4ccc(C)cc4)cc3)C2C)cc1.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole?
The InChIKey is DYZCHWJMFPIGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-21-5-7-23(8-6-21)24-9-15-27(16-10-24)33-22(2)30(25-11-17-28(34-3)18-12-25)32-31(33)26-13-19-29(35-4)20-14-26/h5-20,22,31H,1-4H3.
What are the key properties of 2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole?
2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole has a molecular weight of 462.59 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)-4-methyl-3-[4-(4-methylphenyl)phenyl]-2,4-dihydroimidazole is sourced from PubChem (CID 166797832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).