5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one

C24H22N2O2 — CID 3064878

IUPAC5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one
SMILESCC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)CC1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-18(27)26-22-15-9-8-14-21(22)25(17-19-10-4-2-5-11-19)24(28)16-23(26)20-12-6-3-7-13-20/h2-15,23H,16-17H2,1H3
InChIKeyZNNXJHMWQNPUBZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.72
Rot. Bonds3

About 5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one

5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one (PubChem CID 3064878) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one
PubChem CID3064878
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one
SMILESCC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)CC1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-18(27)26-22-15-9-8-14-21(22)25(17-19-10-4-2-5-11-19)24(28)16-23(26)20-12-6-3-7-13-20/h2-15,23H,16-17H2,1H3
InChIKeyZNNXJHMWQNPUBZ-UHFFFAOYSA-N
XLogP4.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one (CID 3064878) is 5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one is CC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)CC1c1ccccc1.
What is the InChIKey of 5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is ZNNXJHMWQNPUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-18(27)26-22-15-9-8-14-21(22)25(17-19-10-4-2-5-11-19)24(28)16-23(26)20-12-6-3-7-13-20/h2-15,23H,16-17H2,1H3.
What are the key properties of 5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one?
5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 370.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzyl-4-phenyl-3,4-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 3064878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).