1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione

C23H19N3O3 — CID 101390090

IUPAC1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione
SMILESCN(c1ccccc1)n1c(=O)c(=O)n(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H19N3O3/c1-24(18-12-6-3-7-13-18)26-21(27)19-14-8-9-15-20(19)25(22(28)23(26)29)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyYTDICJIPCRJNDM-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.47
Rot. Bonds4

About 1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione

1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione (PubChem CID 101390090) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione.

Molecular Properties

Compound Name1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione
PubChem CID101390090
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione
SMILESCN(c1ccccc1)n1c(=O)c(=O)n(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H19N3O3/c1-24(18-12-6-3-7-13-18)26-21(27)19-14-8-9-15-20(19)25(22(28)23(26)29)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyYTDICJIPCRJNDM-UHFFFAOYSA-N
XLogP2.47
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione
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1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
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1-benzyl-3-methylquinoxalin-2-one
CID 139051924
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CID 101168915

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione?
The IUPAC name of 1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione (CID 101390090) is 1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione.
What is the SMILES notation for 1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione?
The canonical SMILES for 1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione is CN(c1ccccc1)n1c(=O)c(=O)n(Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione?
The InChIKey is YTDICJIPCRJNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-24(18-12-6-3-7-13-18)26-21(27)19-14-8-9-15-20(19)25(22(28)23(26)29)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3.
What are the key properties of 1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione?
1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione has a molecular weight of 385.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione is sourced from PubChem (CID 101390090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).