2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol

C78H65N3O — CID 164713298

About 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol

2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol (PubChem CID 164713298) has the molecular formula C78H65N3O and a molecular weight of 1062.41 g/mol. Its IUPAC name is 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol.

Molecular Properties

• Compound Name: 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol
• PubChem CID: 164713298
• Molecular Formula: C78H65N3O
• Molecular Weight: 1062.41 g/mol
• Exact Mass: 1061.53
• IUPAC Name: 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol
• SMILES: [2H]C1(c2ccccc2)CCC([2H])(c2ccc(-c3ccnc(-c4cc(-c5ccccc5)cc(-c5cccc6c5nc(-c5cccc(-c7ccccc7-c7ccccc7)c5O)n6-c5ccc(CC6CCCC6)cc5-c5ccccc5)c4)c3)cc2)CC1
• InChI: InChI=1S/C78H65N3O/c82-77-70(69-30-16-15-29-67(69)61-25-9-3-10-26-61)32-17-33-71(77)78-80-76-68(31-18-34-75(76)81(78)74-44-35-54(47-53-19-13-14-20-53)48-72(74)62-27-11-4-12-28-62)65-49-64(56-23-7-2-8-24-56)50-66(51-65)73-52-63(45-46-79-73)60-42-40-59(41-43-60)58-38-36-57(37-39-58)55-21-5-1-6-22-55/h1-12,15-18,21-35,40-46,48-53,57-58,82H,13-14,19-20,36-39,47H2/i57D,58D
• InChIKey: PBHLDTBBOKPNIX-OHYKBVSRSA-N
• XLogP: 20.64
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.41
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol?

The IUPAC name of 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol (CID 164713298) is 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol.

What is the SMILES notation for 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol?

The canonical SMILES for 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol is [2H]C1(c2ccccc2)CCC([2H])(c2ccc(-c3ccnc(-c4cc(-c5ccccc5)cc(-c5cccc6c5nc(-c5cccc(-c7ccccc7-c7ccccc7)c5O)n6-c5ccc(CC6CCCC6)cc5-c5ccccc5)c4)c3)cc2)CC1.

What is the InChIKey of 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol?

The InChIKey is PBHLDTBBOKPNIX-OHYKBVSRSA-N. The full InChI is InChI=1S/C78H65N3O/c82-77-70(69-30-16-15-29-67(69)61-25-9-3-10-26-61)32-17-33-71(77)78-80-76-68(31-18-34-75(76)81(78)74-44-35-54(47-53-19-13-14-20-53)48-72(74)62-27-11-4-12-28-62)65-49-64(56-23-7-2-8-24-56)50-66(51-65)73-52-63(45-46-79-73)60-42-40-59(41-43-60)58-38-36-57(37-39-58)55-21-5-1-6-22-55/h1-12,15-18,21-35,40-46,48-53,57-58,82H,13-14,19-20,36-39,47H2/i57D,58D.

What are the key properties of 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol?

2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol has a molecular weight of 1062.41 g/mol, XLogP of 20.64, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol is sourced from PubChem (CID 164713298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).