4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one

C16H16N2O — CID 58983139

IUPAC4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one
SMILESCN1CC(c2ccccc2)=NC2=C(C=CCC2)C1=O
InChIInChI=1S/C16H16N2O/c1-18-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16(18)19/h2-5,7-9H,6,10-11H2,1H3
InChIKeyCYDNDPIQGNOAEC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.55
Rot. Bonds1

About 4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one

4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one (PubChem CID 58983139) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one
PubChem CID58983139
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one
SMILESCN1CC(c2ccccc2)=NC2=C(C=CCC2)C1=O
InChIInChI=1S/C16H16N2O/c1-18-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16(18)19/h2-5,7-9H,6,10-11H2,1H3
InChIKeyCYDNDPIQGNOAEC-UHFFFAOYSA-N
XLogP2.55
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-phenyl-3,4-dihydropyrrol-2-one
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N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one?
The IUPAC name of 4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one (CID 58983139) is 4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one.
What is the SMILES notation for 4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one?
The canonical SMILES for 4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one is CN1CC(c2ccccc2)=NC2=C(C=CCC2)C1=O.
What is the InChIKey of 4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one?
The InChIKey is CYDNDPIQGNOAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16(18)19/h2-5,7-9H,6,10-11H2,1H3.
What are the key properties of 4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one?
4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one has a molecular weight of 252.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one is sourced from PubChem (CID 58983139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).