(3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

C16H15N3O — CID 7216757

IUPAC(3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)[C@H](N)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3/t15-/m1/s1
InChIKeyMWASGDJOVNIDEM-OAHLLOKOSA-N
MW265.32 g/mol
LogP1.79
Rot. Bonds1

About (3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

(3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 7216757) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID7216757
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)[C@H](N)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3/t15-/m1/s1
InChIKeyMWASGDJOVNIDEM-OAHLLOKOSA-N
XLogP1.79
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of (3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 7216757) is (3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for (3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for (3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is CN1C(=O)[C@H](N)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is MWASGDJOVNIDEM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
(3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 265.32 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 7216757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).