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

C18H19N3O — CID 5089261

IUPAC3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(N(C)C)C(=O)N2
InChIInChI=1S/C18H19N3O/c1-12-9-10-15-14(11-12)16(13-7-5-4-6-8-13)20-17(21(2)3)18(22)19-15/h4-11,17H,1-3H3,(H,19,22)
InChIKeyIFSGBZBFCAEATM-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.67
Rot. Bonds2

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

3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 5089261) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID5089261
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(N(C)C)C(=O)N2
InChIInChI=1S/C18H19N3O/c1-12-9-10-15-14(11-12)16(13-7-5-4-6-8-13)20-17(21(2)3)18(22)19-15/h4-11,17H,1-3H3,(H,19,22)
InChIKeyIFSGBZBFCAEATM-UHFFFAOYSA-N
XLogP2.67
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 11659534
(3S)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 3032960
7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen
CID 159104531
N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
CID 137079379
(3S)-3-amino-7-iodo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 129388993
(3S)-7-bromo-3-ethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 7223110
(3E)-3-benzylidene-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 135800941
5-phenyl-3-propan-2-yl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 139414018
(3S)-7-iodo-3-pentan-3-yl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 169180919
7-chloro-5-(4-methylphenyl)-3-[(2-methylphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145475788
3-hydroxy-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 616119
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
CID 18917698

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 5089261) is 3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is Cc1ccc2c(c1)C(c1ccccc1)=NC(N(C)C)C(=O)N2.
What is the InChIKey of 3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is IFSGBZBFCAEATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-9-10-15-14(11-12)16(13-7-5-4-6-8-13)20-17(21(2)3)18(22)19-15/h4-11,17H,1-3H3,(H,19,22).
What are the key properties of 3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 293.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 5089261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).