2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole

C52H42N4O4 — CID 135473929

IUPAC2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
SMILESCOc1cc(-c2nc(-c3ccc(-c4nc(-c5ccc(OCc6ccccc6)c(OC)c5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C52H42N4O4/c1-57-45-31-41(27-29-43(45)59-33-35-15-7-3-8-16-35)51-53-47(37-19-11-5-12-20-37)49(55-51)39-23-25-40(26-24-39)50-48(38-21-13-6-14-22-38)54-52(56-50)42-28-30-44(46(32-42)58-2)60-34-36-17-9-4-10-18-36/h3-32H,33-34H2,1-2H3,(H,53,55)(H,54,56)
InChIKeyCLNWEBVVIRKZIB-UHFFFAOYSA-N
MW786.93 g/mol
LogP12.31
Rot. Bonds14

About 2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole

2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole (PubChem CID 135473929) has the molecular formula C52H42N4O4 and a molecular weight of 786.93 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
PubChem CID135473929
Molecular FormulaC52H42N4O4
Molecular Weight786.93 g/mol
Exact Mass786.32
IUPAC Name2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
SMILESCOc1cc(-c2nc(-c3ccc(-c4nc(-c5ccc(OCc6ccccc6)c(OC)c5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C52H42N4O4/c1-57-45-31-41(27-29-43(45)59-33-35-15-7-3-8-16-35)51-53-47(37-19-11-5-12-20-37)49(55-51)39-23-25-40(26-24-39)50-48(38-21-13-6-14-22-38)54-52(56-50)42-28-30-44(46(32-42)58-2)60-34-36-17-9-4-10-18-36/h3-32H,33-34H2,1-2H3,(H,53,55)(H,54,56)
InChIKeyCLNWEBVVIRKZIB-UHFFFAOYSA-N
XLogP12.31
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.93
LogP ≤ 512.31
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-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
CID 4921922
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 69214242
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
2-methoxy-5-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 1326137
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 10091882

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
The IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole (CID 135473929) is 2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
The canonical SMILES for 2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole is COc1cc(-c2nc(-c3ccc(-c4nc(-c5ccc(OCc6ccccc6)c(OC)c5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
The InChIKey is CLNWEBVVIRKZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N4O4/c1-57-45-31-41(27-29-43(45)59-33-35-15-7-3-8-16-35)51-53-47(37-19-11-5-12-20-37)49(55-51)39-23-25-40(26-24-39)50-48(38-21-13-6-14-22-38)54-52(56-50)42-28-30-44(46(32-42)58-2)60-34-36-17-9-4-10-18-36/h3-32H,33-34H2,1-2H3,(H,53,55)(H,54,56).
What are the key properties of 2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole?
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole has a molecular weight of 786.93 g/mol, XLogP of 12.31, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 135473929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).