3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C16H15N3O — CID 90088874

IUPAC3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1ccccc1C1=NC(N)C(=O)Nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13(12)18-16(20)15(17)19-14/h2-9,15H,17H2,1H3,(H,18,20)
InChIKeySHVSLTZBWWMXJG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.07
Rot. Bonds1

About 3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 90088874) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID90088874
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1ccccc1C1=NC(N)C(=O)Nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13(12)18-16(20)15(17)19-14/h2-9,15H,17H2,1H3,(H,18,20)
InChIKeySHVSLTZBWWMXJG-UHFFFAOYSA-N
XLogP2.07
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 90088874) is 3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is Cc1ccccc1C1=NC(N)C(=O)Nc2ccccc21.
What is the InChIKey of 3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is SHVSLTZBWWMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13(12)18-16(20)15(17)19-14/h2-9,15H,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 90088874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).