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

C24H18N4O — CID 140865510

IUPAC3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
SMILESCn1c(-c2c[nH]ccc2=O)nc2c(-c3cccc(-c4ccccn4)c3)cccc21
InChIInChI=1S/C24H18N4O/c1-28-21-10-5-8-18(23(21)27-24(28)19-15-25-13-11-22(19)29)16-6-4-7-17(14-16)20-9-2-3-12-26-20/h2-15H,1H3,(H,25,29)
InChIKeyWHNXRCVZEADLTI-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.66
Rot. Bonds3

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

3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one (PubChem CID 140865510) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
PubChem CID140865510
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
SMILESCn1c(-c2c[nH]ccc2=O)nc2c(-c3cccc(-c4ccccn4)c3)cccc21
InChIInChI=1S/C24H18N4O/c1-28-21-10-5-8-18(23(21)27-24(28)19-15-25-13-11-22(19)29)16-6-4-7-17(14-16)20-9-2-3-12-26-20/h2-15H,1H3,(H,25,29)
InChIKeyWHNXRCVZEADLTI-UHFFFAOYSA-N
XLogP4.66
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865677
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
4-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
5-tert-butyl-3-[1-methyl-4-(3-propan-2-yl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-2-one
CID 140865401
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
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162
2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865477
3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 140864719
4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140864701
1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole
CID 140934236

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one?
The IUPAC name of 3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one (CID 140865510) is 3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one?
The canonical SMILES for 3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one is Cn1c(-c2c[nH]ccc2=O)nc2c(-c3cccc(-c4ccccn4)c3)cccc21.
What is the InChIKey of 3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one?
The InChIKey is WHNXRCVZEADLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-28-21-10-5-8-18(23(21)27-24(28)19-15-25-13-11-22(19)29)16-6-4-7-17(14-16)20-9-2-3-12-26-20/h2-15H,1H3,(H,25,29).
What are the key properties of 3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one?
3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one has a molecular weight of 378.44 g/mol, XLogP of 4.66, 3 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-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one is sourced from PubChem (CID 140865510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).