8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one

C23H24N2O — CID 3353892

IUPAC8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one
SMILESCC1(C)CC(=O)C2=C(C1)NNC(c1ccccc1)=CC2c1ccccc1
InChIInChI=1S/C23H24N2O/c1-23(2)14-20-22(21(26)15-23)18(16-9-5-3-6-10-16)13-19(24-25-20)17-11-7-4-8-12-17/h3-13,18,24-25H,14-15H2,1-2H3
InChIKeyKASVTRQJFGMETE-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.56
Rot. Bonds2

About 8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one

8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one (PubChem CID 3353892) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one.

Molecular Properties

Compound Name8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one
PubChem CID3353892
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one
SMILESCC1(C)CC(=O)C2=C(C1)NNC(c1ccccc1)=CC2c1ccccc1
InChIInChI=1S/C23H24N2O/c1-23(2)14-20-22(21(26)15-23)18(16-9-5-3-6-10-16)13-19(24-25-20)17-11-7-4-8-12-17/h3-13,18,24-25H,14-15H2,1-2H3
InChIKeyKASVTRQJFGMETE-UHFFFAOYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 25194423
2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 102037403
4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 122202226
4-(4-hydroxy-3-nitrophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 102037395
4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-2-carboxylic acid
CID 46906827
7,7-dimethyl-3,4-diphenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135833484
(6S)-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 667861
4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-2-carboxylic acid
CID 46906829
2-ethyl-7,7-dimethyl-4-(3-phenoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 4998460
2-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-chromen-5-one
CID 15140152
CID 54752337
CID 54752337
(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one
CID 139214449

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one?
The IUPAC name of 8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one (CID 3353892) is 8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one.
What is the SMILES notation for 8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one?
The canonical SMILES for 8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one is CC1(C)CC(=O)C2=C(C1)NNC(c1ccccc1)=CC2c1ccccc1.
What is the InChIKey of 8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one?
The InChIKey is KASVTRQJFGMETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-23(2)14-20-22(21(26)15-23)18(16-9-5-3-6-10-16)13-19(24-25-20)17-11-7-4-8-12-17/h3-13,18,24-25H,14-15H2,1-2H3.
What are the key properties of 8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one?
8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one has a molecular weight of 344.46 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one is sourced from PubChem (CID 3353892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).