4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole

C38H30N4O2 — CID 136591177

IUPAC4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(OC)cc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C38H30N4O2/c1-43-31-21-17-27(18-22-31)35-33(25-9-5-3-6-10-25)39-37(41-35)29-13-15-30(16-14-29)38-40-34(26-11-7-4-8-12-26)36(42-38)28-19-23-32(44-2)24-20-28/h3-24H,1-2H3,(H,39,41)(H,40,42)
InChIKeyQQSPJUTVEXWYEX-UHFFFAOYSA-N
MW574.68 g/mol
LogP9.15
Rot. Bonds8

About 4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole

4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole (PubChem CID 136591177) has the molecular formula C38H30N4O2 and a molecular weight of 574.68 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
PubChem CID136591177
Molecular FormulaC38H30N4O2
Molecular Weight574.68 g/mol
Exact Mass574.24
IUPAC Name4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(OC)cc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C38H30N4O2/c1-43-31-21-17-27(18-22-31)35-33(25-9-5-3-6-10-25)39-37(41-35)29-13-15-30(16-14-29)38-40-34(26-11-7-4-8-12-26)36(42-38)28-19-23-32(44-2)24-20-28/h3-24H,1-2H3,(H,39,41)(H,40,42)
InChIKeyQQSPJUTVEXWYEX-UHFFFAOYSA-N
XLogP9.15
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Fenflumizole
CID 68917
4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 1122713
N-{2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-phenylpiperazine-1-sulfonamide
CID 24825369
{[(3R)-1-benzylpyrrolidin-3-yl]sulfamoyl}({2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl})amine
CID 24825370
{[(3S)-1-benzylpyrrolidin-3-yl]sulfamoyl}({2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl})amine
CID 24825371
{[(3R)-1-benzylpyrrolidin-3-yl](methyl)sulfamoyl}({2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl})amine
CID 24825372
{[(3S)-1-benzylpyrrolidin-3-yl](methyl)sulfamoyl}({2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl})amine
CID 24825373
1-(2,3-Dibenzimidazol-2-ylpropyl)-2-methoxybenzene
CID 2907920
2-(2-Methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 74782
Flumizole
CID 37518
2-(3-bromo-4-methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1935026
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole (CID 136591177) is 4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole is COc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(OC)cc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole?
The InChIKey is QQSPJUTVEXWYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O2/c1-43-31-21-17-27(18-22-31)35-33(25-9-5-3-6-10-25)39-37(41-35)29-13-15-30(16-14-29)38-40-34(26-11-7-4-8-12-26)36(42-38)28-19-23-32(44-2)24-20-28/h3-24H,1-2H3,(H,39,41)(H,40,42).
What are the key properties of 4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole?
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole has a molecular weight of 574.68 g/mol, XLogP of 9.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 136591177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).