5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one

C32H25N3O — CID 167485024

IUPAC5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)ccc21
InChIInChI=1S/C32H25N3O/c1-34-30-18-17-26(21-31(30)35(2)32(34)36)22-13-15-23(16-14-22)27-19-28(24-9-5-3-6-10-24)33-29(20-27)25-11-7-4-8-12-25/h3-21H,1-2H3
InChIKeyHPLUHCQUXHUVNS-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.94
Rot. Bonds4

About 5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one

5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 167485024) has the molecular formula C32H25N3O and a molecular weight of 467.57 g/mol. Its IUPAC name is 5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID167485024
Molecular FormulaC32H25N3O
Molecular Weight467.57 g/mol
Exact Mass467.20
IUPAC Name5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)ccc21
InChIInChI=1S/C32H25N3O/c1-34-30-18-17-26(21-31(30)35(2)32(34)36)22-13-15-23(16-14-22)27-19-28(24-9-5-3-6-10-24)33-29(20-27)25-11-7-4-8-12-25/h3-21H,1-2H3
InChIKeyHPLUHCQUXHUVNS-UHFFFAOYSA-N
XLogP6.94
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one
CID 167485196
1,3-dimethyl-5-[4-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]benzimidazol-2-one
CID 172507309
1,3-dimethyl-5-[4-[2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507457
5-[4-[10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507555
5-[4-[6-[4-(3,4-diphenylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507719
5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-1,3-dimethylbenzimidazol-2-one
CID 172507658
1,3-dimethyl-5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazol-2-one
CID 172507342
1,3-dimethyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507275
5-[4-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507488
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507247
1,3-dimethyl-5-[4-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-phenylpyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507623
1,3-dimethyl-5-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507648

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one (CID 167485024) is 5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)ccc21.
What is the InChIKey of 5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is HPLUHCQUXHUVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O/c1-34-30-18-17-26(21-31(30)35(2)32(34)36)22-13-15-23(16-14-22)27-19-28(24-9-5-3-6-10-24)33-29(20-27)25-11-7-4-8-12-25/h3-21H,1-2H3.
What are the key properties of 5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one?
5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 467.57 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 167485024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).