3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one

C17H17N3O — CID 142254857

IUPAC3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(N)C(=O)N2C
InChIInChI=1S/C17H17N3O/c1-11-8-9-14-13(10-11)15(12-6-4-3-5-7-12)19-16(18)17(21)20(14)2/h3-10,16H,18H2,1-2H3
InChIKeyLXECAHOZBKRQJP-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.09
Rot. Bonds1

About 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one

3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 142254857) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID142254857
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(N)C(=O)N2C
InChIInChI=1S/C17H17N3O/c1-11-8-9-14-13(10-11)15(12-6-4-3-5-7-12)19-16(18)17(21)20(14)2/h3-10,16H,18H2,1-2H3
InChIKeyLXECAHOZBKRQJP-UHFFFAOYSA-N
XLogP2.09
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1,7-dimethyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one
CID 142255110
3-amino-5-(4-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 22135256
1,8-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-amine
CID 123865022
3-amino-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one
CID 10084267
3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 18969010
3-amino-7-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 22312322
azane;1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one;thiohydroxylamine
CID 142255276
3-amino-1-methyl-5-[3-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one
CID 22472904
3,7-dimethyl-5-phenyl-1-prop-1-en-2-yl-3H-1,4-benzodiazepin-2-one
CID 89108142
3-(2-aminoethyl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 167076834
1-methyl-3-(methylamino)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 3046728
3-amino-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-2-one
CID 10589821

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 142254857) is 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one is Cc1ccc2c(c1)C(c1ccccc1)=NC(N)C(=O)N2C.
What is the InChIKey of 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is LXECAHOZBKRQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-8-9-14-13(10-11)15(12-6-4-3-5-7-12)19-16(18)17(21)20(14)2/h3-10,16H,18H2,1-2H3.
What are the key properties of 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 142254857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).