3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one

C30H22N4O — CID 140865677

IUPAC3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
SMILESCn1c(-c2c[nH]ccc2=O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccccn4)c3)cccc21
InChIInChI=1S/C30H22N4O/c1-34-27-12-7-10-24(29(27)33-30(34)25-19-31-15-13-28(25)35)22-16-21(20-8-3-2-4-9-20)17-23(18-22)26-11-5-6-14-32-26/h2-19H,1H3,(H,31,35)
InChIKeyDJBJXGZBEDORIU-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.32
Rot. Bonds4

About 3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one

3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one (PubChem CID 140865677) has the molecular formula C30H22N4O and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
PubChem CID140865677
Molecular FormulaC30H22N4O
Molecular Weight454.53 g/mol
Exact Mass454.18
IUPAC Name3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
SMILESCn1c(-c2c[nH]ccc2=O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccccn4)c3)cccc21
InChIInChI=1S/C30H22N4O/c1-34-27-12-7-10-24(29(27)33-30(34)25-19-31-15-13-28(25)35)22-16-21(20-8-3-2-4-9-20)17-23(18-22)26-11-5-6-14-32-26/h2-19H,1H3,(H,31,35)
InChIKeyDJBJXGZBEDORIU-UHFFFAOYSA-N
XLogP6.32
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865510
3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865419
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865251
3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 140864801
3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 140864719
5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one
CID 140865401
4-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140864701
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162
2-tert-butyl-6-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865331
2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865477

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one?
The IUPAC name of 3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one (CID 140865677) is 3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one?
The canonical SMILES for 3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one is Cn1c(-c2c[nH]ccc2=O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccccn4)c3)cccc21.
What is the InChIKey of 3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one?
The InChIKey is DJBJXGZBEDORIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O/c1-34-27-12-7-10-24(29(27)33-30(34)25-19-31-15-13-28(25)35)22-16-21(20-8-3-2-4-9-20)17-23(18-22)26-11-5-6-14-32-26/h2-19H,1H3,(H,31,35).
What are the key properties of 3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one?
3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one has a molecular weight of 454.53 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one is sourced from PubChem (CID 140865677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).