3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one

C16H16N2O — CID 91757247

IUPAC3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2CCN1Cc1ccccc1
InChIInChI=1S/C16H16N2O/c19-16-17-15-9-5-4-8-14(15)10-11-18(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,17,19)
InChIKeyYYUJZSIPSOLVRE-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.28
Rot. Bonds2

About 3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one

3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one (PubChem CID 91757247) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one.

Molecular Properties

Compound Name3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one
PubChem CID91757247
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2CCN1Cc1ccccc1
InChIInChI=1S/C16H16N2O/c19-16-17-15-9-5-4-8-14(15)10-11-18(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,17,19)
InChIKeyYYUJZSIPSOLVRE-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
CID 143494207
3-methyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one
CID 21297204
(2R,3R)-5-benzyl-2-phenyl-3-propan-2-yl-2,3,6,7-tetrahydro-1H-1,5-benzodiazonin-4-one
CID 139118996
1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone
CID 115107236
2-benzyl-7-bromo-8-chloro-3,4-dihydroisoquinolin-1-one
CID 166465199
4-(2-phenylethyl)-2,5-dihydro-1H-1,4-benzodiazepin-3-one
CID 58984721
1-benzyl-7-methyl-2,3-dihydroindole
CID 11020518
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
7-[(4-fluorophenyl)methyl]-1-trityl-6,9-dihydro-5H-pyrazolo[4,3-h][1,3]benzodiazepin-8-one
CID 136997202
1-benzyl-3,9-dihydro-2H-indeno[2,1-b]pyridin-4-one
CID 102461664
2-benzyl-6-methyl-3,4-dihydroisoquinolin-1-one
CID 58318227
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one?
The IUPAC name of 3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one (CID 91757247) is 3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one.
What is the SMILES notation for 3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one?
The canonical SMILES for 3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one is O=C1Nc2ccccc2CCN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one?
The InChIKey is YYUJZSIPSOLVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16-17-15-9-5-4-8-14(15)10-11-18(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,17,19).
What are the key properties of 3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one?
3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one has a molecular weight of 252.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one is sourced from PubChem (CID 91757247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).