4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole

C35H28N2O2 — CID 86068927

IUPAC4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
SMILESCOc1ccc(-c2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H28N2O2/c1-38-31-20-16-26(17-21-31)24-8-12-28(13-9-24)33-34(37-35(36-33)30-6-4-3-5-7-30)29-14-10-25(11-15-29)27-18-22-32(39-2)23-19-27/h3-23H,1-2H3,(H,36,37)
InChIKeyQCQYDTREOFPTLX-UHFFFAOYSA-N
MW508.62 g/mol
LogP8.76
Rot. Bonds7

About 4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole

4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole (PubChem CID 86068927) has the molecular formula C35H28N2O2 and a molecular weight of 508.62 g/mol. Its IUPAC name is 4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
PubChem CID86068927
Molecular FormulaC35H28N2O2
Molecular Weight508.62 g/mol
Exact Mass508.22
IUPAC Name4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
SMILESCOc1ccc(-c2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H28N2O2/c1-38-31-20-16-26(17-21-31)24-8-12-28(13-9-24)33-34(37-35(36-33)30-6-4-3-5-7-30)29-14-10-25(11-15-29)27-18-22-32(39-2)23-19-27/h3-23H,1-2H3,(H,36,37)
InChIKeyQCQYDTREOFPTLX-UHFFFAOYSA-N
XLogP8.76
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
3-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 135420505
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
CID 142013542
2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 6617735
2-(4-methoxyphenyl)-5-[8-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-4-phenyl-1H-imidazole
CID 135415841
2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole
CID 3106630

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole?
The IUPAC name of 4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole (CID 86068927) is 4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole.
What is the SMILES notation for 4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole?
The canonical SMILES for 4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole is COc1ccc(-c2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole?
The InChIKey is QCQYDTREOFPTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O2/c1-38-31-20-16-26(17-21-31)24-8-12-28(13-9-24)33-34(37-35(36-33)30-6-4-3-5-7-30)29-14-10-25(11-15-29)27-18-22-32(39-2)23-19-27/h3-23H,1-2H3,(H,36,37).
What are the key properties of 4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole?
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole has a molecular weight of 508.62 g/mol, XLogP of 8.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole is sourced from PubChem (CID 86068927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).