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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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).