1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one

C22H16N2O2 — CID 681703

IUPAC1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-21-15-19(16-9-3-1-4-10-16)23-18-13-7-8-14-20(18)24(21)22(26)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyODLVSKPTLKUZOG-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.38
Rot. Bonds2

About 1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one

1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one (PubChem CID 681703) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one
PubChem CID681703
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-21-15-19(16-9-3-1-4-10-16)23-18-13-7-8-14-20(18)24(21)22(26)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyODLVSKPTLKUZOG-UHFFFAOYSA-N
XLogP4.38
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone
CID 7103038
4-phenyl-1-prop-2-enyl-3H-1,5-benzodiazepin-2-one
CID 15992203
1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
CID 53007639
1-benzoyl-4-phenylspiro[1,5-benzodiazepine-3,2'-3H-1,3-benzothiazole]-2-one
CID 10874220
2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 71822005
2-phenyl-3H-indole-4-carboxylic acid
CID 59625772
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 71822051
5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
CID 4068588
1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 702388
1-(4-phenylbenzoyl)pyrrolidine-2,5-dione
CID 170985681
N-benzyl-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 46342431
2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53028982

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one (CID 681703) is 1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one is O=C1CC(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one?
The InChIKey is ODLVSKPTLKUZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-21-15-19(16-9-3-1-4-10-16)23-18-13-7-8-14-20(18)24(21)22(26)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one?
1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one has a molecular weight of 340.38 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 681703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).