1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine

C20H18BrFN4 — CID 21487155

IUPAC1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc2n1-c1c(Br)cccc1C(c1ccccc1F)=NC2
InChIInChI=1S/C20H18BrFN4/c1-25(2)12-13-10-23-18-11-24-19(14-6-3-4-9-17(14)22)15-7-5-8-16(21)20(15)26(13)18/h3-10H,11-12H2,1-2H3
InChIKeyXLFMFGNHFQMYTF-UHFFFAOYSA-N
MW413.29 g/mol
LogP4.19
Rot. Bonds3

About 1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine

1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine (PubChem CID 21487155) has the molecular formula C20H18BrFN4 and a molecular weight of 413.29 g/mol. Its IUPAC name is 1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
PubChem CID21487155
Molecular FormulaC20H18BrFN4
Molecular Weight413.29 g/mol
Exact Mass412.07
IUPAC Name1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc2n1-c1c(Br)cccc1C(c1ccccc1F)=NC2
InChIInChI=1S/C20H18BrFN4/c1-25(2)12-13-10-23-18-11-24-19(14-6-3-4-9-17(14)22)15-7-5-8-16(21)20(15)26(13)18/h3-10H,11-12H2,1-2H3
InChIKeyXLFMFGNHFQMYTF-UHFFFAOYSA-N
XLogP4.19
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[10-bromo-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
CID 70094730
2-[6-(2,6-difluorophenyl)-10-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]ethanamine
CID 154373430
2-[8-bromo-6-(2-chlorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine
CID 154327197
N-[[7-bromo-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-1-cyclopropylmethanamine
CID 21437305
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 10359044
1-ethyl-7-(2-fluorophenyl)-9-iodo-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
CID 15079809
9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
CID 15704066
1-(5-bromoimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine
CID 117255863
6-(2-fluorophenyl)-1-isocyanato-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 173429776
N-[[6-(2-fluorophenyl)-8-propan-2-ylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methoxy]-N-methylmethanamine
CID 21420450
1-[2-[2-[(dimethylamino)methyl]-3-fluorophenyl]-6-fluorophenyl]-N,N-dimethylmethanamine
CID 122228827
8-chloro-6-(2-fluorophenyl)-1-(methoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 19865812

Frequently Asked Questions

What is the IUPAC name of 1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine (CID 21487155) is 1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine is CN(C)Cc1cnc2n1-c1c(Br)cccc1C(c1ccccc1F)=NC2.
What is the InChIKey of 1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine?
The InChIKey is XLFMFGNHFQMYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4/c1-25(2)12-13-10-23-18-11-24-19(14-6-3-4-9-17(14)22)15-7-5-8-16(21)20(15)26(13)18/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine?
1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine has a molecular weight of 413.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-bromo-6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 21487155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).