2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one

C24H22N2O — CID 4640936

IUPAC2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
SMILESO=C1C2Cc3ccccc3CN2C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H22N2O/c27-24-22-15-20-13-7-8-14-21(20)17-25(22)23(19-11-5-2-6-12-19)26(24)16-18-9-3-1-4-10-18/h1-14,22-23H,15-17H2
InChIKeyFAWWZYSNRKRHNE-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.15
Rot. Bonds3

About 2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one

2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one (PubChem CID 4640936) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one.

Molecular Properties

Compound Name2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
PubChem CID4640936
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
SMILESO=C1C2Cc3ccccc3CN2C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H22N2O/c27-24-22-15-20-13-7-8-14-21(20)17-25(22)23(19-11-5-2-6-12-19)26(24)16-18-9-3-1-4-10-18/h1-14,22-23H,15-17H2
InChIKeyFAWWZYSNRKRHNE-UHFFFAOYSA-N
XLogP4.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(10aS)-2-benzyl-3-[(3,4-dihydroxyphenyl)methyl]-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 167598899
(11aS)-2-benzyl-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
CID 905966
2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 3825974
2-(cyclohexa-1,3-dien-1-ylmethyl)-3-(3,4-dihydroxyphenyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 167544204
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
(10aS)-2-anilino-3-(4-hydroxyphenyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 164829715
1-benzyl-2-phenyl-2,3-dihydroquinolin-4-one
CID 134841606
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897
(3R,11aS)-3-benzyl-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
CID 11781738
3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 20653580
(3R)-2-benzyl-3-(furan-2-yl)-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one
CID 167572151

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The IUPAC name of 2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one (CID 4640936) is 2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one.
What is the SMILES notation for 2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The canonical SMILES for 2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one is O=C1C2Cc3ccccc3CN2C(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
The InChIKey is FAWWZYSNRKRHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c27-24-22-15-20-13-7-8-14-21(20)17-25(22)23(19-11-5-2-6-12-19)26(24)16-18-9-3-1-4-10-18/h1-14,22-23H,15-17H2.
What are the key properties of 2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one?
2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one has a molecular weight of 354.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one is sourced from PubChem (CID 4640936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).