2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol

C36H25N3O — CID 171424927

IUPAC2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
SMILES[2H]c1nc(-c2cccc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)cc(-c2ccccc2)c1[2H]
InChIInChI=1S/C36H25N3O/c40-34-20-8-7-17-31(34)36-38-35-30(18-10-19-33(35)39(36)29-15-5-2-6-16-29)27-13-9-14-28(23-27)32-24-26(21-22-37-32)25-11-3-1-4-12-25/h1-24,40H/i21D,22D
InChIKeyVBRTULIEOFAQIA-PFEKTETHSA-N
MW517.63 g/mol
LogP8.79
Rot. Bonds5

About 2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol

2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol (PubChem CID 171424927) has the molecular formula C36H25N3O and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
PubChem CID171424927
Molecular FormulaC36H25N3O
Molecular Weight517.63 g/mol
Exact Mass517.21
IUPAC Name2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
SMILES[2H]c1nc(-c2cccc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)cc(-c2ccccc2)c1[2H]
InChIInChI=1S/C36H25N3O/c40-34-20-8-7-17-31(34)36-38-35-30(18-10-19-33(35)39(36)29-15-5-2-6-16-29)27-13-9-14-28(23-27)32-24-26(21-22-37-32)25-11-3-1-4-12-25/h1-24,40H/i21D,22D
InChIKeyVBRTULIEOFAQIA-PFEKTETHSA-N
XLogP8.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-deuterio-2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 171425044
2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171425112
5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
2-[3-phenyl-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864017
2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142
2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864165
2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 164742379
6-methyl-4-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864229
2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
CID 162783149
4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 140906004

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol (CID 171424927) is 2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol is [2H]c1nc(-c2cccc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)cc(-c2ccccc2)c1[2H].
What is the InChIKey of 2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
The InChIKey is VBRTULIEOFAQIA-PFEKTETHSA-N. The full InChI is InChI=1S/C36H25N3O/c40-34-20-8-7-17-31(34)36-38-35-30(18-10-19-33(35)39(36)29-15-5-2-6-16-29)27-13-9-14-28(23-27)32-24-26(21-22-37-32)25-11-3-1-4-12-25/h1-24,40H/i21D,22D.
What are the key properties of 2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol has a molecular weight of 517.63 g/mol, XLogP of 8.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 171424927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).