5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride

C16H17ClN2O — CID 2824991

IUPAC5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride
SMILESCN1C(=O)CC(c2ccccc2)Nc2ccccc21.Cl
InChIInChI=1S/C16H16N2O.ClH/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12;/h2-10,14,17H,11H2,1H3;1H
InChIKeyRNHUIUNPWNQMNR-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.63
Rot. Bonds1

About 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride

5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride (PubChem CID 2824991) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride
PubChem CID2824991
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride
SMILESCN1C(=O)CC(c2ccccc2)Nc2ccccc21.Cl
InChIInChI=1S/C16H16N2O.ClH/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12;/h2-10,14,17H,11H2,1H3;1H
InChIKeyRNHUIUNPWNQMNR-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride?
The IUPAC name of 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride (CID 2824991) is 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride.
What is the SMILES notation for 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride?
The canonical SMILES for 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride is CN1C(=O)CC(c2ccccc2)Nc2ccccc21.Cl.
What is the InChIKey of 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride?
The InChIKey is RNHUIUNPWNQMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.ClH/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12;/h2-10,14,17H,11H2,1H3;1H.
What are the key properties of 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride?
5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one;hydrochloride is sourced from PubChem (CID 2824991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).