2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde

C16H12N2O2 — CID 13199476

IUPAC2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde
SMILESO=CC1C(=O)Nc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-10-12-15(11-6-2-1-3-7-11)17-13-8-4-5-9-14(13)18-16(12)20/h1-10,12H,(H,18,20)
InChIKeyYUQTXGAPFIFZNR-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.57
Rot. Bonds2

About 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde

2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde (PubChem CID 13199476) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde
PubChem CID13199476
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde
SMILESO=CC1C(=O)Nc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-10-12-15(11-6-2-1-3-7-11)17-13-8-4-5-9-14(13)18-16(12)20/h1-10,12H,(H,18,20)
InChIKeyYUQTXGAPFIFZNR-UHFFFAOYSA-N
XLogP2.57
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 26365907
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 7689392
3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 139235275
3-bromo-4-(4-methoxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 6425507
2-(4-bromophenyl)-3H-indole-3-carbaldehyde
CID 174973416
2-(4-methoxyphenyl)-3H-indole-3-carbaldehyde
CID 174973415
4-methyl-3-prop-2-enyl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 23973711
4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 621552
2,3-diphenylcycloprop-2-ene-1-carbaldehyde
CID 12749987
2-(3-methoxyphenyl)-3H-indole-3-carbaldehyde
CID 174972709
4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one
CID 15141750
N-[4-(4-methoxyphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]-N-(2-phenylethyl)thiophene-2-carboxamide
CID 51361488

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde?
The IUPAC name of 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde (CID 13199476) is 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde.
What is the SMILES notation for 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde?
The canonical SMILES for 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde is O=CC1C(=O)Nc2ccccc2N=C1c1ccccc1.
What is the InChIKey of 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde?
The InChIKey is YUQTXGAPFIFZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-10-12-15(11-6-2-1-3-7-11)17-13-8-4-5-9-14(13)18-16(12)20/h1-10,12H,(H,18,20).
What are the key properties of 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde?
2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde has a molecular weight of 264.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde is sourced from PubChem (CID 13199476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).