1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole

C39H35N5O — CID 140889772

IUPAC1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(Oc3cccc(-n4cccn4)n3)cc2n1-c1ccccc1
InChIInChI=1S/C39H35N5O/c1-26(2)32-23-29(28-13-7-5-8-14-28)24-33(27(3)4)38(32)39-41-34-20-19-31(25-35(34)44(39)30-15-9-6-10-16-30)45-37-18-11-17-36(42-37)43-22-12-21-40-43/h5-27H,1-4H3
InChIKeyVUNONEZBMLJCFC-UHFFFAOYSA-N
MW589.74 g/mol
LogP9.98
Rot. Bonds8

About 1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole

1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole (PubChem CID 140889772) has the molecular formula C39H35N5O and a molecular weight of 589.74 g/mol. Its IUPAC name is 1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole
PubChem CID140889772
Molecular FormulaC39H35N5O
Molecular Weight589.74 g/mol
Exact Mass589.28
IUPAC Name1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(Oc3cccc(-n4cccn4)n3)cc2n1-c1ccccc1
InChIInChI=1S/C39H35N5O/c1-26(2)32-23-29(28-13-7-5-8-14-28)24-33(27(3)4)38(32)39-41-34-20-19-31(25-35(34)44(39)30-15-9-6-10-16-30)45-37-18-11-17-36(42-37)43-22-12-21-40-43/h5-27H,1-4H3
InChIKeyVUNONEZBMLJCFC-UHFFFAOYSA-N
XLogP9.98
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole
CID 140889830
2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole
CID 140889780
2-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-5-(6-pyrazol-1-yl-2-pyridinyl)-4H-benzimidazol-4-ide;2-(2,6-dimethylphenyl)-3-phenyl-5-(6-pyrazol-1-yl-2-pyridinyl)-4H-benzimidazol-4-ide;2-[2,6-di(propan-2-yl)phenyl]-3-phenyl-5-(6-pyrazol-1-yl-2-pyridinyl)-4H-benzimidazol-4-ide;2-methyl-3-phenyl-5-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-4H-benzimidazol-4-ide;3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-(6-pyrazol-1-yl-2-pyridinyl)-4H-benzimidazol-4-ide;pentakis(platinum(2+))
CID 159603334
2-(2,6-dimethylphenyl)-3-phenyl-5-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-4H-benzimidazol-4-ide;2-[2,6-di(propan-2-yl)phenyl]-3-phenyl-5-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-4H-benzimidazol-4-ide;2-methyl-3-phenyl-5-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazol-4-ol;3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-4H-benzimidazol-4-ide;2-[2-phenyl-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-7H-benzimidazol-7-id-1-yl]phenol;platinum;tris(platinum(2+))
CID 159658506
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-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid
CID 67365280
5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole
CID 140889854
methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate
CID 10270610
2-pyrazol-1-yl-6-pyridin-2-yloxypyridine
CID 91616296
4-phenyl-2,6-di(pyrazol-1-yl)pyridine
CID 123601747
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]sulfanylphenyl]benzimidazole
CID 140593650

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole (CID 140889772) is 1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(Oc3cccc(-n4cccn4)n3)cc2n1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole?
The InChIKey is VUNONEZBMLJCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35N5O/c1-26(2)32-23-29(28-13-7-5-8-14-28)24-33(27(3)4)38(32)39-41-34-20-19-31(25-35(34)44(39)30-15-9-6-10-16-30)45-37-18-11-17-36(42-37)43-22-12-21-40-43/h5-27H,1-4H3.
What are the key properties of 1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole?
1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole has a molecular weight of 589.74 g/mol, XLogP of 9.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole is sourced from PubChem (CID 140889772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).