1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole

C55H62N4O — CID 140723590

About 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole

1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole (PubChem CID 140723590) has the molecular formula C55H62N4O and a molecular weight of 795.13 g/mol. Its IUPAC name is 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole.

Molecular Properties

• Compound Name: 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole
• PubChem CID: 140723590
• Molecular Formula: C55H62N4O
• Molecular Weight: 795.13 g/mol
• Exact Mass: 794.49
• IUPAC Name: 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1cccc(COCc2cccc(-c3nccn3-c3c(C(C)C)cc(C4CCCC4)cc3C(C)C)c2)c1
• InChI: InChI=1S/C55H62N4O/c1-36(2)48-30-46(42-18-10-9-11-19-42)31-49(37(3)4)52(48)58-26-24-56-54(58)44-22-14-16-40(28-44)34-60-35-41-17-15-23-45(29-41)55-57-25-27-59(55)53-50(38(5)6)32-47(33-51(53)39(7)8)43-20-12-13-21-43/h9-11,14-19,22-33,36-39,43H,12-13,20-21,34-35H2,1-8H3
• InChIKey: JZJASYBPWRLAOU-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.13
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole?

The IUPAC name of 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole (CID 140723590) is 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole.

What is the SMILES notation for 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole?

The canonical SMILES for 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1cccc(COCc2cccc(-c3nccn3-c3c(C(C)C)cc(C4CCCC4)cc3C(C)C)c2)c1.

What is the InChIKey of 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole?

The InChIKey is JZJASYBPWRLAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H62N4O/c1-36(2)48-30-46(42-18-10-9-11-19-42)31-49(37(3)4)52(48)58-26-24-56-54(58)44-22-14-16-40(28-44)34-60-35-41-17-15-23-45(29-41)55-57-25-27-59(55)53-50(38(5)6)32-47(33-51(53)39(7)8)43-20-12-13-21-43/h9-11,14-19,22-33,36-39,43H,12-13,20-21,34-35H2,1-8H3.

What are the key properties of 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole?

1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole has a molecular weight of 795.13 g/mol, XLogP of 14.93, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole is sourced from PubChem (CID 140723590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).