2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one

C24H22N2O — CID 3825974

IUPAC2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
SMILESCc1ccc(N2C(=O)C3Cc4ccccc4CN3C2c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-17-11-13-21(14-12-17)26-23(18-7-3-2-4-8-18)25-16-20-10-6-5-9-19(20)15-22(25)24(26)27/h2-14,22-23H,15-16H2,1H3
InChIKeyYMCRTRZZLZJCJP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.47
Rot. Bonds2

About 2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one

2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one (PubChem CID 3825974) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
PubChem CID3825974
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
SMILESCc1ccc(N2C(=O)C3Cc4ccccc4CN3C2c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-17-11-13-21(14-12-17)26-23(18-7-3-2-4-8-18)25-16-20-10-6-5-9-19(20)15-22(25)24(26)27/h2-14,22-23H,15-16H2,1H3
InChIKeyYMCRTRZZLZJCJP-UHFFFAOYSA-N
XLogP4.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 4640936
(10aS)-2-(4-methylphenyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 11808033
3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 20653580
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
(10aS)-2-anilino-3-(4-hydroxyphenyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 164829715
2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid
CID 10588897
(3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione
CID 7692921
3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one
CID 146164427
4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one
CID 11832713
(10R,11R,15R,16S)-16-(4-bromophenyl)-13-(4-methylphenyl)-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-12,14-dione
CID 6586546
(3S,7aS)-2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 124760539
(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one
CID 101124325

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The IUPAC name of 2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one (CID 3825974) is 2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The canonical SMILES for 2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one is Cc1ccc(N2C(=O)C3Cc4ccccc4CN3C2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The InChIKey is YMCRTRZZLZJCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-17-11-13-21(14-12-17)26-23(18-7-3-2-4-8-18)25-16-20-10-6-5-9-19(20)15-22(25)24(26)27/h2-14,22-23H,15-16H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one has a molecular weight of 354.45 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one is sourced from PubChem (CID 3825974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).