7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C17H16N2O — CID 23275338

IUPAC7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1cc(C)c2c(c1)C(c1ccccc1)=NCC(=O)N2
InChIInChI=1S/C17H16N2O/c1-11-8-12(2)16-14(9-11)17(18-10-15(20)19-16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyZMXLAUDJKIBNLG-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.09
Rot. Bonds1

About 7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 23275338) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID23275338
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1cc(C)c2c(c1)C(c1ccccc1)=NCC(=O)N2
InChIInChI=1S/C17H16N2O/c1-11-8-12(2)16-14(9-11)17(18-10-15(20)19-16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyZMXLAUDJKIBNLG-UHFFFAOYSA-N
XLogP3.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 23275338) is 7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is Cc1cc(C)c2c(c1)C(c1ccccc1)=NCC(=O)N2.
What is the InChIKey of 7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is ZMXLAUDJKIBNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-8-12(2)16-14(9-11)17(18-10-15(20)19-16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 23275338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).