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

C30H22N4O — CID 140864801

IUPAC3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCn1c(-c2ccc[nH]c2=O)nc2c(-c3cccc(-c4ccc(-c5ccccc5)cn4)c3)cccc21
InChIInChI=1S/C30H22N4O/c1-34-27-14-6-12-24(28(27)33-29(34)25-13-7-17-31-30(25)35)21-10-5-11-22(18-21)26-16-15-23(19-32-26)20-8-3-2-4-9-20/h2-19H,1H3,(H,31,35)
InChIKeyXLUZHOJEGJDHBU-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.32
Rot. Bonds4

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

3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 140864801) has the molecular formula C30H22N4O and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID140864801
Molecular FormulaC30H22N4O
Molecular Weight454.53 g/mol
Exact Mass454.18
IUPAC Name3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESCn1c(-c2ccc[nH]c2=O)nc2c(-c3cccc(-c4ccc(-c5ccccc5)cn4)c3)cccc21
InChIInChI=1S/C30H22N4O/c1-34-27-14-6-12-24(28(27)33-29(34)25-13-7-17-31-30(25)35)21-10-5-11-22(18-21)26-16-15-23(19-32-26)20-8-3-2-4-9-20/h2-19H,1H3,(H,31,35)
InChIKeyXLUZHOJEGJDHBU-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-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 140864719
3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865419
4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865247
3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865510
3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865677
4-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol
CID 140864433
2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865261
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
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-carbazol-9-yl-2-[1-methyl-4-[3-phenyl-5-[5-(trimethyl-λ4-sulfanyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164701110
5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
CID 140864201

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one (CID 140864801) is 3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one is Cn1c(-c2ccc[nH]c2=O)nc2c(-c3cccc(-c4ccc(-c5ccccc5)cn4)c3)cccc21.
What is the InChIKey of 3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is XLUZHOJEGJDHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O/c1-34-27-14-6-12-24(28(27)33-29(34)25-13-7-17-31-30(25)35)21-10-5-11-22(18-21)26-16-15-23(19-32-26)20-8-3-2-4-9-20/h2-19H,1H3,(H,31,35).
What are the key properties of 3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one?
3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-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-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 140864801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).