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

C40H34N4O4 — CID 135537331

IUPAC2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
SMILESCOc1ccc(OC)c(-c2nc(-c3ccc(-c4nc(-c5cc(OC)ccc5OC)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C40H34N4O4/c1-45-29-19-21-33(47-3)31(23-29)39-41-35(25-11-7-5-8-12-25)37(43-39)27-15-17-28(18-16-27)38-36(26-13-9-6-10-14-26)42-40(44-38)32-24-30(46-2)20-22-34(32)48-4/h5-24H,1-4H3,(H,41,43)(H,42,44)
InChIKeyQBIVIPJSFOZWEZ-UHFFFAOYSA-N
MW634.74 g/mol
LogP9.17
Rot. Bonds10

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

2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole (PubChem CID 135537331) has the molecular formula C40H34N4O4 and a molecular weight of 634.74 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
PubChem CID135537331
Molecular FormulaC40H34N4O4
Molecular Weight634.74 g/mol
Exact Mass634.26
IUPAC Name2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
SMILESCOc1ccc(OC)c(-c2nc(-c3ccc(-c4nc(-c5cc(OC)ccc5OC)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C40H34N4O4/c1-45-29-19-21-33(47-3)31(23-29)39-41-35(25-11-7-5-8-12-25)37(43-39)27-15-17-28(18-16-27)38-36(26-13-9-6-10-14-26)42-40(44-38)32-24-30(46-2)20-22-34(32)48-4/h5-24H,1-4H3,(H,41,43)(H,42,44)
InChIKeyQBIVIPJSFOZWEZ-UHFFFAOYSA-N
XLogP9.17
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.74
LogP ≤ 59.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272
2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
CID 6618129
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone
CID 2208629
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
2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane
CID 162284056
4,5-bis(3-methoxyphenyl)-2-(2-phenylphenyl)-1H-imidazole
CID 151753479
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224
2,7-bis[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 6617735
2-methoxy-5-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 1326137

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole (CID 135537331) is 2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole is COc1ccc(OC)c(-c2nc(-c3ccc(-c4nc(-c5cc(OC)ccc5OC)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
The InChIKey is QBIVIPJSFOZWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4O4/c1-45-29-19-21-33(47-3)31(23-29)39-41-35(25-11-7-5-8-12-25)37(43-39)27-15-17-28(18-16-27)38-36(26-13-9-6-10-14-26)42-40(44-38)32-24-30(46-2)20-22-34(32)48-4/h5-24H,1-4H3,(H,41,43)(H,42,44).
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole has a molecular weight of 634.74 g/mol, XLogP of 9.17, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 135537331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).