2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

C64H74N4O6 — CID 142458499

IUPAC2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESCOC(C)(C)CCOC(C)(C)CCOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C2(c3cccc(OCCC(C)(C)OCCC(C)(C)OC)c3)N=C(c3ccccc3)C(c3ccccc3)=N2)c1
InChIInChI=1S/C64H74N4O6/c1-60(2,69-9)39-43-73-62(5,6)37-41-71-53-35-23-33-51(45-53)59-65-57(49-29-19-13-20-30-49)58(50-31-21-14-22-32-50)68(59)64(66-55(47-25-15-11-16-26-47)56(67-64)48-27-17-12-18-28-48)52-34-24-36-54(46-52)72-42-38-63(7,8)74-44-40-61(3,4)70-10/h11-36,45-46H,37-44H2,1-10H3
InChIKeyGTDHMPOVKHGNCC-UHFFFAOYSA-N
MW995.32 g/mol
LogP14.29
Rot. Bonds25

About 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (PubChem CID 142458499) has the molecular formula C64H74N4O6 and a molecular weight of 995.32 g/mol. Its IUPAC name is 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
PubChem CID142458499
Molecular FormulaC64H74N4O6
Molecular Weight995.32 g/mol
Exact Mass994.56
IUPAC Name2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESCOC(C)(C)CCOC(C)(C)CCOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C2(c3cccc(OCCC(C)(C)OCCC(C)(C)OC)c3)N=C(c3ccccc3)C(c3ccccc3)=N2)c1
InChIInChI=1S/C64H74N4O6/c1-60(2,69-9)39-43-73-62(5,6)37-41-71-53-35-23-33-51(45-53)59-65-57(49-29-19-13-20-30-49)58(50-31-21-14-22-32-50)68(59)64(66-55(47-25-15-11-16-26-47)56(67-64)48-27-17-12-18-28-48)52-34-24-36-54(46-52)72-42-38-63(7,8)74-44-40-61(3,4)70-10/h11-36,45-46H,37-44H2,1-10H3
InChIKeyGTDHMPOVKHGNCC-UHFFFAOYSA-N
XLogP14.29
TPSA97.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.32
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The IUPAC name of 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (CID 142458499) is 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.
What is the SMILES notation for 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The canonical SMILES for 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is COC(C)(C)CCOC(C)(C)CCOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C2(c3cccc(OCCC(C)(C)OCCC(C)(C)OC)c3)N=C(c3ccccc3)C(c3ccccc3)=N2)c1.
What is the InChIKey of 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The InChIKey is GTDHMPOVKHGNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H74N4O6/c1-60(2,69-9)39-43-73-62(5,6)37-41-71-53-35-23-33-51(45-53)59-65-57(49-29-19-13-20-30-49)58(50-31-21-14-22-32-50)68(59)64(66-55(47-25-15-11-16-26-47)56(67-64)48-27-17-12-18-28-48)52-34-24-36-54(46-52)72-42-38-63(7,8)74-44-40-61(3,4)70-10/h11-36,45-46H,37-44H2,1-10H3.
What are the key properties of 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole has a molecular weight of 995.32 g/mol, XLogP of 14.29, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-1-[2-[3-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is sourced from PubChem (CID 142458499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).