6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C21H23F3N4O2 — CID 139668235

IUPAC6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN(C)CCN(C)c1cccc2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC(=O)N2
InChIInChI=1S/C21H23F3N4O2/c1-26(2)11-12-27(3)17-6-4-5-16-19(17)20(30)28(13-18(29)25-16)15-9-7-14(8-10-15)21(22,23)24/h4-10H,11-13H2,1-3H3,(H,25,29)
InChIKeyRCGFQXAZKBNKCW-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.30
Rot. Bonds5

About 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione

6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 139668235) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID139668235
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN(C)CCN(C)c1cccc2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC(=O)N2
InChIInChI=1S/C21H23F3N4O2/c1-26(2)11-12-27(3)17-6-4-5-16-19(17)20(30)28(13-18(29)25-16)15-9-7-14(8-10-15)21(22,23)24/h4-10H,11-13H2,1-3H3,(H,25,29)
InChIKeyRCGFQXAZKBNKCW-UHFFFAOYSA-N
XLogP3.30
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-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

9-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668290
4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668299
8-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]-1H-quinazolin-4-one
CID 139668158
3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 125489925
4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 122560222
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668197
3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562060
methyl 1-oxo-2-[4-(trifluoromethyl)phenyl]-3H-isoindole-4-carboxylate
CID 67992519
N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50945050
2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione
CID 58230172

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 139668235) is 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN(C)CCN(C)c1cccc2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC(=O)N2.
What is the InChIKey of 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is RCGFQXAZKBNKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-26(2)11-12-27(3)17-6-4-5-16-19(17)20(30)28(13-18(29)25-16)15-9-7-14(8-10-15)21(22,23)24/h4-10H,11-13H2,1-3H3,(H,25,29).
What are the key properties of 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 420.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl-methylamino]-4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 139668235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).