2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine

C21H20BrClN4 — CID 154327197

IUPAC2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cnc2n1-c1ccc(Br)cc1C(c1ccccc1Cl)=NC2
InChIInChI=1S/C21H20BrClN4/c1-26(2)10-9-15-12-24-20-13-25-21(16-5-3-4-6-18(16)23)17-11-14(22)7-8-19(17)27(15)20/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyQZNAGWZAUFKGMW-UHFFFAOYSA-N
MW443.78 g/mol
LogP4.74
Rot. Bonds4

About 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine

2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine (PubChem CID 154327197) has the molecular formula C21H20BrClN4 and a molecular weight of 443.78 g/mol. Its IUPAC name is 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine
PubChem CID154327197
Molecular FormulaC21H20BrClN4
Molecular Weight443.78 g/mol
Exact Mass442.06
IUPAC Name2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cnc2n1-c1ccc(Br)cc1C(c1ccccc1Cl)=NC2
InChIInChI=1S/C21H20BrClN4/c1-26(2)10-9-15-12-24-20-13-25-21(16-5-3-4-6-18(16)23)17-11-14(22)7-8-19(17)27(15)20/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyQZNAGWZAUFKGMW-UHFFFAOYSA-N
XLogP4.74
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.78
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine 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

8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 70880326
N-[[8-bromo-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-N-ethylprop-2-yn-1-amine
CID 21450882
N-[(1S)-1-[8-bromo-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]ethanesulfonamide
CID 1032846
1-[8-chloro-6-(2-chlorophenyl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
CID 14357896
1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
CID 21487186
N-[[9-bromo-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]prop-2-en-1-amine
CID 21437332
8-bromo-3-chloro-6-(2-chlorophenyl)-1-methyl-3,4-dihydro-2H-1,5-benzodiazocine
CID 13485631
(2S)-7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
CID 66721904
8-bromo-1-butyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 13343345
8-chloro-1-[[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyldisulfanyl]methyl]-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 15573094
acetylene;8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine;ethane;methyl propanoate
CID 167507469
acetic acid;[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
CID 70359440

Frequently Asked Questions

What is the IUPAC name of 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine (CID 154327197) is 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine is CN(C)CCc1cnc2n1-c1ccc(Br)cc1C(c1ccccc1Cl)=NC2.
What is the InChIKey of 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine?
The InChIKey is QZNAGWZAUFKGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN4/c1-26(2)10-9-15-12-24-20-13-25-21(16-5-3-4-6-18(16)23)17-11-14(22)7-8-19(17)27(15)20/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine?
2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine has a molecular weight of 443.78 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 154327197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).