(2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

C16H16N2O — CID 738782

IUPAC(2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCN1C(=O)C[C@@H](c2ccccc2)Nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3/t14-/m0/s1
InChIKeyFHOSJKIPIAZPJP-AWEZNQCLSA-N
MW252.32 g/mol
LogP3.21
Rot. Bonds1

About (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

(2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (PubChem CID 738782) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name(2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
PubChem CID738782
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCN1C(=O)C[C@@H](c2ccccc2)Nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3/t14-/m0/s1
InChIKeyFHOSJKIPIAZPJP-AWEZNQCLSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzepin
CID 9419
Dibenzepin Hydrochloride
CID 443945
Diampromide
CID 62370
RG-2833
CID 56654642
3-Benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 15649435
1H-1,5-Benzodiazepin-2-one, 2,3,4,5-tetrahydro-4-methyl-
CID 19868
U 17660
CID 26008
ML252
CID 26873419
Cyclopeptine
CID 179574
1-benzyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
CID 1479828
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-phenyl-, hydrate
CID 2848107
6-{4-[2-(dimethylamino)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 23643870

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The IUPAC name of (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (CID 738782) is (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.
What is the SMILES notation for (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The canonical SMILES for (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is CN1C(=O)C[C@@H](c2ccccc2)Nc2ccccc21.
What is the InChIKey of (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The InChIKey is FHOSJKIPIAZPJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
(2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one has a molecular weight of 252.32 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 738782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).