3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C19H21N3O — CID 11659534

IUPAC3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCCN(CC)C1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C19H21N3O/c1-3-22(4-2)18-19(23)20-16-13-9-8-12-15(16)17(21-18)14-10-6-5-7-11-14/h5-13,18H,3-4H2,1-2H3,(H,20,23)
InChIKeyOJSRVTPDSDATOH-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.14
Rot. Bonds4

About 3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 11659534) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID11659534
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCCN(CC)C1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C19H21N3O/c1-3-22(4-2)18-19(23)20-16-13-9-8-12-15(16)17(21-18)14-10-6-5-7-11-14/h5-13,18H,3-4H2,1-2H3,(H,20,23)
InChIKeyOJSRVTPDSDATOH-UHFFFAOYSA-N
XLogP3.14
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L 365260
CID 5311201
7-Aminoflunitrazepam
CID 92294
Denatonium
CID 15488
1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
CID 5279172
Bms 906024
CID 66550890
RO-05-2921
CID 76175
2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile
CID 19011
7-Aminonitrazepam
CID 78641
N,N'-DI(O-Tolyl)oxamide
CID 223396
1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 9953071
Compound E
CID 11306390
1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 613843

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 11659534) is 3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is CCN(CC)C1N=C(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of 3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is OJSRVTPDSDATOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-22(4-2)18-19(23)20-16-13-9-8-12-15(16)17(21-18)14-10-6-5-7-11-14/h5-13,18H,3-4H2,1-2H3,(H,20,23).
What are the key properties of 3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 307.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 11659534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).