3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline

C55H53N5 — CID 157247877

About 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline

3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline (PubChem CID 157247877) has the molecular formula C55H53N5 and a molecular weight of 784.06 g/mol. Its IUPAC name is 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline.

Molecular Properties

• Compound Name: 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline
• PubChem CID: 157247877
• Molecular Formula: C55H53N5
• Molecular Weight: 784.06 g/mol
• Exact Mass: 783.43
• IUPAC Name: 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline
• SMILES: Cc1ccc(-n2ccnc2-c2cccc(N(c3ccccc3)c3cccc(-c4nccn4-c4ccc(-c5ccccc5)cc4C4CCCCC4)c3)c2)c(C2CCCCC2)c1
• InChI: InChI=1S/C55H53N5/c1-40-28-30-52(50(36-40)42-18-8-3-9-19-42)58-34-32-56-54(58)45-22-14-26-48(37-45)60(47-24-12-5-13-25-47)49-27-15-23-46(38-49)55-57-33-35-59(55)53-31-29-44(41-16-6-2-7-17-41)39-51(53)43-20-10-4-11-21-43/h2,5-7,12-17,22-39,42-43H,3-4,8-11,18-21H2,1H3
• InChIKey: FDMDURFUGABMCL-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.06
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline?

The IUPAC name of 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline (CID 157247877) is 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline.

What is the SMILES notation for 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline?

The canonical SMILES for 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline is Cc1ccc(-n2ccnc2-c2cccc(N(c3ccccc3)c3cccc(-c4nccn4-c4ccc(-c5ccccc5)cc4C4CCCCC4)c3)c2)c(C2CCCCC2)c1.

What is the InChIKey of 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline?

The InChIKey is FDMDURFUGABMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H53N5/c1-40-28-30-52(50(36-40)42-18-8-3-9-19-42)58-34-32-56-54(58)45-22-14-26-48(37-45)60(47-24-12-5-13-25-47)49-27-15-23-46(38-49)55-57-33-35-59(55)53-31-29-44(41-16-6-2-7-17-41)39-51(53)43-20-10-4-11-21-43/h2,5-7,12-17,22-39,42-43H,3-4,8-11,18-21H2,1H3.

What are the key properties of 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline?

3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline has a molecular weight of 784.06 g/mol, XLogP of 14.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-cyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2-cyclohexyl-4-phenylphenyl)imidazol-2-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 157247877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).