2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine

C20H15F5N4 — CID 154373430

IUPAC2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine
SMILESNCCc1cnc2n1-c1c(cccc1C(F)(F)F)C(c1c(F)cccc1F)=NC2
InChIInChI=1S/C20H15F5N4/c21-14-5-2-6-15(22)17(14)18-12-3-1-4-13(20(23,24)25)19(12)29-11(7-8-26)9-27-16(29)10-28-18/h1-6,9H,7-8,10,26H2
InChIKeyFMVHPFRZHQQPIT-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.02
Rot. Bonds3

About 2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine

2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine (PubChem CID 154373430) has the molecular formula C20H15F5N4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine
PubChem CID154373430
Molecular FormulaC20H15F5N4
Molecular Weight406.36 g/mol
Exact Mass406.12
IUPAC Name2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine
SMILESNCCc1cnc2n1-c1c(cccc1C(F)(F)F)C(c1c(F)cccc1F)=NC2
InChIInChI=1S/C20H15F5N4/c21-14-5-2-6-15(22)17(14)18-12-3-1-4-13(20(23,24)25)19(12)29-11(7-8-26)9-27-16(29)10-28-18/h1-6,9H,7-8,10,26H2
InChIKeyFMVHPFRZHQQPIT-UHFFFAOYSA-N
XLogP4.02
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
CID 21487155
[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]methanamine
CID 46313291
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene
CID 118843388
2-(5-fluoroimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 105437923
2-(5-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 39150066
[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631455
6-chloro-5-(2-fluorophenyl)-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 162346313
4-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119001740
1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 83807314
2-(2,3-difluorophenyl)-3-(trifluoromethyl)pyridine
CID 170837725

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine?
The IUPAC name of 2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine (CID 154373430) is 2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine.
What is the SMILES notation for 2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine?
The canonical SMILES for 2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine is NCCc1cnc2n1-c1c(cccc1C(F)(F)F)C(c1c(F)cccc1F)=NC2.
What is the InChIKey of 2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine?
The InChIKey is FMVHPFRZHQQPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4/c21-14-5-2-6-15(22)17(14)18-12-3-1-4-13(20(23,24)25)19(12)29-11(7-8-26)9-27-16(29)10-28-18/h1-6,9H,7-8,10,26H2.
What are the key properties of 2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine?
2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine has a molecular weight of 406.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine is sourced from PubChem (CID 154373430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).