2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole

C41H36N4O — CID 140889830

IUPAC2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(Oc3ccccn3)cc2n1-c1cccc(-c2ccccn2)c1
InChIInChI=1S/C41H36N4O/c1-27(2)34-24-31(29-13-6-5-7-14-29)25-35(28(3)4)40(34)41-44-37-20-19-33(46-39-18-9-11-22-43-39)26-38(37)45(41)32-16-12-15-30(23-32)36-17-8-10-21-42-36/h5-28H,1-4H3
InChIKeyWPTUYVGHGAPEKN-UHFFFAOYSA-N
MW600.77 g/mol
LogP10.86
Rot. Bonds8

About 2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole

2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole (PubChem CID 140889830) has the molecular formula C41H36N4O and a molecular weight of 600.77 g/mol. Its IUPAC name is 2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole
PubChem CID140889830
Molecular FormulaC41H36N4O
Molecular Weight600.77 g/mol
Exact Mass600.29
IUPAC Name2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(Oc3ccccn3)cc2n1-c1cccc(-c2ccccn2)c1
InChIInChI=1S/C41H36N4O/c1-27(2)34-24-31(29-13-6-5-7-14-29)25-35(28(3)4)40(34)41-44-37-20-19-33(46-39-18-9-11-22-43-39)26-38(37)45(41)32-16-12-15-30(23-32)36-17-8-10-21-42-36/h5-28H,1-4H3
InChIKeyWPTUYVGHGAPEKN-UHFFFAOYSA-N
XLogP10.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole
CID 140889772
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285580
2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328473
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043
9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole
CID 140818788
9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole
CID 140889806
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole
CID 140889780
2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine
CID 140803188
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole?
The IUPAC name of 2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole (CID 140889830) is 2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole.
What is the SMILES notation for 2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole?
The canonical SMILES for 2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(Oc3ccccn3)cc2n1-c1cccc(-c2ccccn2)c1.
What is the InChIKey of 2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole?
The InChIKey is WPTUYVGHGAPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N4O/c1-27(2)34-24-31(29-13-6-5-7-14-29)25-35(28(3)4)40(34)41-44-37-20-19-33(46-39-18-9-11-22-43-39)26-38(37)45(41)32-16-12-15-30(23-32)36-17-8-10-21-42-36/h5-28H,1-4H3.
What are the key properties of 2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole?
2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole has a molecular weight of 600.77 g/mol, XLogP of 10.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole is sourced from PubChem (CID 140889830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).