2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol

C39H31N3O — CID 164742098

IUPAC2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(c1ccccc1)c1ccc(-c2cccc(-c3ccccn3)c2)c2nc(-c3ccccc3O)n(-c3ccccc3)c12
InChIInChI=1S/C39H31N3O/c1-39(2,29-16-5-3-6-17-29)33-24-23-31(27-14-13-15-28(26-27)34-21-11-12-25-40-34)36-37(33)42(30-18-7-4-8-19-30)38(41-36)32-20-9-10-22-35(32)43/h3-26,43H,1-2H3
InChIKeyITBUVBPXXIJTHB-UHFFFAOYSA-N
MW557.70 g/mol
LogP9.45
Rot. Bonds6

About 2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol

2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol (PubChem CID 164742098) has the molecular formula C39H31N3O and a molecular weight of 557.70 g/mol. Its IUPAC name is 2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
PubChem CID164742098
Molecular FormulaC39H31N3O
Molecular Weight557.70 g/mol
Exact Mass557.25
IUPAC Name2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(c1ccccc1)c1ccc(-c2cccc(-c3ccccn3)c2)c2nc(-c3ccccc3O)n(-c3ccccc3)c12
InChIInChI=1S/C39H31N3O/c1-39(2,29-16-5-3-6-17-29)33-24-23-31(27-14-13-15-28(26-27)34-21-11-12-25-40-34)36-37(33)42(30-18-7-4-8-19-30)38(41-36)32-20-9-10-22-35(32)43/h3-26,43H,1-2H3
InChIKeyITBUVBPXXIJTHB-UHFFFAOYSA-N
XLogP9.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.70
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937
2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 164742580
2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864557
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142
4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 140906004
2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol
CID 140831982
2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865477
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162
9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol
CID 162783267
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742615
2-[1-phenyl-4-[3-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164742899

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol (CID 164742098) is 2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol is CC(C)(c1ccccc1)c1ccc(-c2cccc(-c3ccccn3)c2)c2nc(-c3ccccc3O)n(-c3ccccc3)c12.
What is the InChIKey of 2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is ITBUVBPXXIJTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3O/c1-39(2,29-16-5-3-6-17-29)33-24-23-31(27-14-13-15-28(26-27)34-21-11-12-25-40-34)36-37(33)42(30-18-7-4-8-19-30)38(41-36)32-20-9-10-22-35(32)43/h3-26,43H,1-2H3.
What are the key properties of 2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 557.70 g/mol, XLogP of 9.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 164742098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).