4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C18H18N2O2 — CID 2862158

IUPAC4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC(=O)N1CC(=O)Nc2ccc(C)cc2C1c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-12-8-9-16-15(10-12)18(14-6-4-3-5-7-14)20(13(2)21)11-17(22)19-16/h3-10,18H,11H2,1-2H3,(H,19,22)
InChIKeyZOMWBALGUNGSQR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.89
Rot. Bonds1

About 4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 2862158) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID2862158
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC(=O)N1CC(=O)Nc2ccc(C)cc2C1c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-12-8-9-16-15(10-12)18(14-6-4-3-5-7-14)20(13(2)21)11-17(22)19-16/h3-10,18H,11H2,1-2H3,(H,19,22)
InChIKeyZOMWBALGUNGSQR-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 2862158) is 4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CC(=O)N1CC(=O)Nc2ccc(C)cc2C1c1ccccc1.
What is the InChIKey of 4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is ZOMWBALGUNGSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-8-9-16-15(10-12)18(14-6-4-3-5-7-14)20(13(2)21)11-17(22)19-16/h3-10,18H,11H2,1-2H3,(H,19,22).
What are the key properties of 4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 2862158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).