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

C17H17N3O — CID 12695715

IUPAC7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
InChIInChI=1S/C17H17N3O/c1-20(2)13-8-9-15-14(10-13)17(18-11-16(21)19-15)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyPFNCLPHRNJHYJA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.54
Rot. Bonds2

About 7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 12695715) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID12695715
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
InChIInChI=1S/C17H17N3O/c1-20(2)13-8-9-15-14(10-13)17(18-11-16(21)19-15)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyPFNCLPHRNJHYJA-UHFFFAOYSA-N
XLogP2.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Denatonium
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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 12695715) is 7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is CN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2.
What is the InChIKey of 7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is PFNCLPHRNJHYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(2)13-8-9-15-14(10-13)17(18-11-16(21)19-15)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 12695715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).