(4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one

C23H18N2O — CID 919349

IUPAC(4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one
SMILESO=C1C=CC2=N[C@]3(c4ccccc4)CCC=C(c4ccccc4)N3C2=C1
InChIInChI=1S/C23H18N2O/c26-19-13-14-20-22(16-19)25-21(17-8-3-1-4-9-17)12-7-15-23(25,24-20)18-10-5-2-6-11-18/h1-6,8-14,16H,7,15H2/t23-/m1/s1
InChIKeyFUFIYGWTSAIFHZ-HSZRJFAPSA-N
MW338.41 g/mol
LogP4.45
Rot. Bonds2

About (4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one

(4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one (PubChem CID 919349) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is (4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one.

Molecular Properties

Compound Name(4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one
PubChem CID919349
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name(4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one
SMILESO=C1C=CC2=N[C@]3(c4ccccc4)CCC=C(c4ccccc4)N3C2=C1
InChIInChI=1S/C23H18N2O/c26-19-13-14-20-22(16-19)25-21(17-8-3-1-4-9-17)12-7-15-23(25,24-20)18-10-5-2-6-11-18/h1-6,8-14,16H,7,15H2/t23-/m1/s1
InChIKeyFUFIYGWTSAIFHZ-HSZRJFAPSA-N
XLogP4.45
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

(1R,6R,7R)-7,9-diphenyl-10,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,14,16-tetraen-13-one
CID 7075427
(1S,6R,7R)-N,7,9-triphenyl-10,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,14,16-tetraen-13-imine
CID 94903616
2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene
CID 757371
2,4,4-triphenyl-5H-1,3-oxazin-6-one
CID 570014
2-[(7,9-diphenyl-10,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,14,16-tetraen-13-ylidene)amino]-2-methylpropan-1-ol
CID 3770419
(1,2-dimethylcyclopent-2-en-1-yl)benzene
CID 18943784
2,2,5-triphenyl-3,4-dihydropyrrole
CID 11289490
2-methyl-4-phenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one
CID 12861079
1,5-diphenylpyrrole-2,3-dione
CID 10467233
(2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one
CID 92857426
cyclohexa-2,5-diene-1,4-dione;2-phenylcyclohexa-2,5-diene-1,4-dione
CID 158662900
4,4-diphenylcyclopentane-1,2-dione
CID 15724710

Frequently Asked Questions

What is the IUPAC name of (4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one?
The IUPAC name of (4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one (CID 919349) is (4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one.
What is the SMILES notation for (4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one?
The canonical SMILES for (4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one is O=C1C=CC2=N[C@]3(c4ccccc4)CCC=C(c4ccccc4)N3C2=C1.
What is the InChIKey of (4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one?
The InChIKey is FUFIYGWTSAIFHZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18N2O/c26-19-13-14-20-22(16-19)25-21(17-8-3-1-4-9-17)12-7-15-23(25,24-20)18-10-5-2-6-11-18/h1-6,8-14,16H,7,15H2/t23-/m1/s1.
What are the key properties of (4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one?
(4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one has a molecular weight of 338.41 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-1,4a-diphenyl-3,4-dihydropyrido[1,2-a]benzimidazol-8-one is sourced from PubChem (CID 919349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).