5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol

C30H21N3O — CID 171424937

IUPAC5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
SMILES[2H]c1ccc(-c2nc3c(-c4cccc(-c5ccccn5)c4)cccc3n2-c2ccccc2)c(O)c1
InChIInChI=1S/C30H21N3O/c34-28-18-5-4-14-25(28)30-32-29-24(15-9-17-27(29)33(30)23-12-2-1-3-13-23)21-10-8-11-22(20-21)26-16-6-7-19-31-26/h1-20,34H/i5D
InChIKeyXDWGAODQAUJQEK-UICOGKGYSA-N
MW440.52 g/mol
LogP7.13
Rot. Bonds4

About 5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol

5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol (PubChem CID 171424937) has the molecular formula C30H21N3O and a molecular weight of 440.52 g/mol. Its IUPAC name is 5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
PubChem CID171424937
Molecular FormulaC30H21N3O
Molecular Weight440.52 g/mol
Exact Mass440.17
IUPAC Name5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
SMILES[2H]c1ccc(-c2nc3c(-c4cccc(-c5ccccn5)c4)cccc3n2-c2ccccc2)c(O)c1
InChIInChI=1S/C30H21N3O/c34-28-18-5-4-14-25(28)30-32-29-24(15-9-17-27(29)33(30)23-12-2-1-3-13-23)21-10-8-11-22(20-21)26-16-6-7-19-31-26/h1-20,34H/i5D
InChIKeyXDWGAODQAUJQEK-UICOGKGYSA-N
XLogP7.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 140906004
2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864557
2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171424927
2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171425112
2-[4-(3-pyridin-2-ylphenyl)-1-(2,2'-spirobi[1,3-dihydroindene]-5-yl)benzimidazol-2-yl]phenol
CID 164727607
3-deuterio-2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 171425044
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol
CID 162783267
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142
2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 164742098
2-[3-phenyl-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864017
2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864165

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol (CID 171424937) is 5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol is [2H]c1ccc(-c2nc3c(-c4cccc(-c5ccccn5)c4)cccc3n2-c2ccccc2)c(O)c1.
What is the InChIKey of 5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is XDWGAODQAUJQEK-UICOGKGYSA-N. The full InChI is InChI=1S/C30H21N3O/c34-28-18-5-4-14-25(28)30-32-29-24(15-9-17-27(29)33(30)23-12-2-1-3-13-23)21-10-8-11-22(20-21)26-16-6-7-19-31-26/h1-20,34H/i5D.
What are the key properties of 5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 440.52 g/mol, XLogP of 7.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 171424937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).