(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C23H19ClN2O2 — CID 25053747

IUPAC(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C23H19ClN2O2/c24-18-11-12-21-19(14-18)22(27)25-20(13-16-7-3-1-4-8-16)23(28)26(21)15-17-9-5-2-6-10-17/h1-12,14,20H,13,15H2,(H,25,27)/t20-/m0/s1
InChIKeyZUWDJEZGEPQCEO-FQEVSTJZSA-N
MW390.87 g/mol
LogP4.23
Rot. Bonds4

About (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione

(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 25053747) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID25053747
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C23H19ClN2O2/c24-18-11-12-21-19(14-18)22(27)25-20(13-16-7-3-1-4-8-16)23(28)26(21)15-17-9-5-2-6-10-17/h1-12,14,20H,13,15H2,(H,25,27)/t20-/m0/s1
InChIKeyZUWDJEZGEPQCEO-FQEVSTJZSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione 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

7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 11696796
5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 112774880
1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one
CID 139259282
3-amino-7-chloro-5-(4-hydroxyphenyl)-1-[(4-phenylphenyl)methyl]-3H-1,4-benzodiazepin-2-one;7-chloro-1-methyl-3-(naphthalen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 160801627
(3R)-7-chloro-1-methyl-3-[[4-(1H-pyrrol-3-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 90359658
7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 157159507
3-benzyl-5,7-dichloro-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;ethane
CID 123525969
(3S)-8-hexyl-3-[(4-hydroxyphenyl)methyl]-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 10369790
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
3-benzyl-5-chloro-1-methyl-3H-indol-2-one
CID 11043888
7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride
CID 158567271
(7S,10S)-7-benzyl-16-chloro-5-methyl-10-(2-methylpropyl)-2-oxa-5,8,11-triazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-6,9,12-trione
CID 110062552

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 25053747) is (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione is O=C1N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is ZUWDJEZGEPQCEO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-18-11-12-21-19(14-18)22(27)25-20(13-16-7-3-1-4-8-16)23(28)26(21)15-17-9-5-2-6-10-17/h1-12,14,20H,13,15H2,(H,25,27)/t20-/m0/s1.
What are the key properties of (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 390.87 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 25053747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).