2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

C21H17BrN2 — CID 3810147

IUPAC2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESBrc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2N1
InChIInChI=1S/C21H17BrN2/c22-17-11-5-4-10-16(17)21-14-20(15-8-2-1-3-9-15)23-18-12-6-7-13-19(18)24-21/h1-13,21,24H,14H2
InChIKeyOYPYNBIEJNOOCJ-UHFFFAOYSA-N
MW377.29 g/mol
LogP6.13
Rot. Bonds2

About 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine (PubChem CID 3810147) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
PubChem CID3810147
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESBrc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2N1
InChIInChI=1S/C21H17BrN2/c22-17-11-5-4-10-16(17)21-14-20(15-8-2-1-3-9-15)23-18-12-6-7-13-19(18)24-21/h1-13,21,24H,14H2
InChIKeyOYPYNBIEJNOOCJ-UHFFFAOYSA-N
XLogP6.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine 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

1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-4-phenyl-
CID 613466
2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 2728685
4-Phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 2771646
2,4-Diphenyl-1H-1,5-benzodiazepine
CID 407897
2-(4-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 5252872
4-Styryl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 5340070
(10E)-6-(4-bromophenyl)-10-[(4-bromophenyl)methylidene]-5,7,8,9-tetrahydrobenzo[b][1,4]benzodiazepine
CID 76314285
Quinoxaline, 1,2-dihydro-2,3-diphenyl-
CID 418962
CID 123627075
CID 123627075
2,4-Bis(4-fluorophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
CID 139081023
3-Bromo-2-methyl-4-phenyl-1H-1,5-benzodiazepine
CID 429552
2,3-Bis(4-bromophenyl)-6-fluoro-1,2-dihydroquinoxaline
CID 89796551

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine (CID 3810147) is 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine is Brc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2N1.
What is the InChIKey of 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
The InChIKey is OYPYNBIEJNOOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c22-17-11-5-4-10-16(17)21-14-20(15-8-2-1-3-9-15)23-18-12-6-7-13-19(18)24-21/h1-13,21,24H,14H2.
What are the key properties of 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine?
2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine has a molecular weight of 377.29 g/mol, XLogP of 6.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 3810147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).