1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole

C61H51N3O — CID 167355083

IUPAC1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole
SMILES[2H]C(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3cc(C)cc(C)c3OC)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C)cc6)ccn5)c4)cccc32)cc1-c1ccccc1
InChIInChI=1S/C61H51N3O/c1-39(2)52-37-54(46-21-14-9-15-22-46)58(38-53(52)45-19-12-8-13-20-45)64-57-24-16-23-51(59(57)63-61(64)55-32-41(4)31-42(5)60(55)65-6)49-33-48(43-17-10-7-11-18-43)34-50(35-49)56-36-47(29-30-62-56)44-27-25-40(3)26-28-44/h7-39H,1-6H3/i39D
InChIKeyKVTKVUZITPRABY-XROWWNTBSA-N
MW843.11 g/mol
LogP16.15
Rot. Bonds10

About 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole

1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole (PubChem CID 167355083) has the molecular formula C61H51N3O and a molecular weight of 843.11 g/mol. Its IUPAC name is 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole
PubChem CID167355083
Molecular FormulaC61H51N3O
Molecular Weight843.11 g/mol
Exact Mass842.41
IUPAC Name1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole
SMILES[2H]C(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3cc(C)cc(C)c3OC)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C)cc6)ccn5)c4)cccc32)cc1-c1ccccc1
InChIInChI=1S/C61H51N3O/c1-39(2)52-37-54(46-21-14-9-15-22-46)58(38-53(52)45-19-12-8-13-20-45)64-57-24-16-23-51(59(57)63-61(64)55-32-41(4)31-42(5)60(55)65-6)49-33-48(43-17-10-7-11-18-43)34-50(35-49)56-36-47(29-30-62-56)44-27-25-40(3)26-28-44/h7-39H,1-6H3/i39D
InChIKeyKVTKVUZITPRABY-XROWWNTBSA-N
XLogP16.15
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.11
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole with MolForge

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Related Compounds

4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)benzimidazole
CID 167356072
4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)benzimidazole
CID 167356115
2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 153478872
1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole
CID 167355185
1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole
CID 167355445
4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)benzimidazole
CID 167355252
1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]benzimidazole
CID 167356031
1-(3-tert-butyl-5-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]-2-(2-methoxy-3,5-dimethylphenyl)benzimidazole
CID 167356283
2,4-ditert-butyl-6-[4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol
CID 164701137
2-[4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylphenyl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 153482381
2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
CID 153476088
2-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 163822428

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole?
The IUPAC name of 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole (CID 167355083) is 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole.
What is the SMILES notation for 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole?
The canonical SMILES for 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole is [2H]C(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3cc(C)cc(C)c3OC)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C)cc6)ccn5)c4)cccc32)cc1-c1ccccc1.
What is the InChIKey of 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole?
The InChIKey is KVTKVUZITPRABY-XROWWNTBSA-N. The full InChI is InChI=1S/C61H51N3O/c1-39(2)52-37-54(46-21-14-9-15-22-46)58(38-53(52)45-19-12-8-13-20-45)64-57-24-16-23-51(59(57)63-61(64)55-32-41(4)31-42(5)60(55)65-6)49-33-48(43-17-10-7-11-18-43)34-50(35-49)56-36-47(29-30-62-56)44-27-25-40(3)26-28-44/h7-39H,1-6H3/i39D.
What are the key properties of 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole?
1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole has a molecular weight of 843.11 g/mol, XLogP of 16.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazole is sourced from PubChem (CID 167355083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).