4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol

C42H30N4O — CID 140906004

IUPAC4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
SMILESOc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2c(-c3cccc(-c4ccccn4)c3)cccc2n1-c1ccccc1
InChIInChI=1S/C42H30N4O/c47-40-26-25-35(45(32-16-4-1-5-17-32)33-18-6-2-7-19-33)29-37(40)42-44-41-36(22-13-24-39(41)46(42)34-20-8-3-9-21-34)30-14-12-15-31(28-30)38-23-10-11-27-43-38/h1-29,47H
InChIKeyDDJXNYGGUMUCAW-UHFFFAOYSA-N
MW606.73 g/mol
LogP10.60
Rot. Bonds7

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

4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol (PubChem CID 140906004) has the molecular formula C42H30N4O and a molecular weight of 606.73 g/mol. Its IUPAC name is 4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
PubChem CID140906004
Molecular FormulaC42H30N4O
Molecular Weight606.73 g/mol
Exact Mass606.24
IUPAC Name4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
SMILESOc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2c(-c3cccc(-c4ccccn4)c3)cccc2n1-c1ccccc1
InChIInChI=1S/C42H30N4O/c47-40-26-25-35(45(32-16-4-1-5-17-32)33-18-6-2-7-19-33)29-37(40)42-44-41-36(22-13-24-39(41)46(42)34-20-8-3-9-21-34)30-14-12-15-31(28-30)38-23-10-11-27-43-38/h1-29,47H
InChIKeyDDJXNYGGUMUCAW-UHFFFAOYSA-N
XLogP10.60
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 510.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937
2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864557
N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425006
9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol
CID 162783267
2-[4-(3-pyridin-2-ylphenyl)-1-(2,2'-spirobi[1,3-dihydroindene]-5-yl)benzimidazol-2-yl]phenol
CID 164727607
2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171424927
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
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-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 164742098
2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171425112
2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093990

Frequently Asked Questions

What is the IUPAC name of 4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol (CID 140906004) is 4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol is Oc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2c(-c3cccc(-c4ccccn4)c3)cccc2n1-c1ccccc1.
What is the InChIKey of 4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is DDJXNYGGUMUCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O/c47-40-26-25-35(45(32-16-4-1-5-17-32)33-18-6-2-7-19-33)29-37(40)42-44-41-36(22-13-24-39(41)46(42)34-20-8-3-9-21-34)30-14-12-15-31(28-30)38-23-10-11-27-43-38/h1-29,47H.
What are the key properties of 4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol?
4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 606.73 g/mol, XLogP of 10.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 140906004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).