(8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine

C12H10BrN3 — CID 115051046

IUPAC(8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine
SMILESNCc1cn2ccc3cc(Br)ccc3c2n1
InChIInChI=1S/C12H10BrN3/c13-9-1-2-11-8(5-9)3-4-16-7-10(6-14)15-12(11)16/h1-5,7H,6,14H2
InChIKeyIPTPBQVXLCBQFS-UHFFFAOYSA-N
MW276.14 g/mol
LogP2.71
Rot. Bonds1

About (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine

(8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine (PubChem CID 115051046) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine.

Molecular Properties

Compound Name(8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine
PubChem CID115051046
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name(8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine
SMILESNCc1cn2ccc3cc(Br)ccc3c2n1
InChIInChI=1S/C12H10BrN3/c13-9-1-2-11-8(5-9)3-4-16-7-10(6-14)15-12(11)16/h1-5,7H,6,14H2
InChIKeyIPTPBQVXLCBQFS-UHFFFAOYSA-N
XLogP2.71
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine 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-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine
CID 115038584
(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine;dihydrochloride
CID 50988319
(8-bromoimidazo[1,2-c]pyrimidin-2-yl)methanamine
CID 84690918
(6-bromo-1-methylnaphthalen-2-yl)methanamine
CID 115057582
2-(7-bromoimidazo[1,2-a]pyridin-2-yl)acetaldehyde
CID 83898362
2-[(4-bromophenyl)methyl]imidazo[1,2-a]pyridin-8-ol
CID 117137466
2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 117223836
bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromoimidazo[2,1-a]isoquinoline
CID 161159737
6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 116619522
(7-bromo-3-methylisoquinolin-1-yl)methanamine
CID 84707384
2-(8-bromoimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115044020
(6-bromo-4-methylquinolin-2-yl)methanamine
CID 83527571

Frequently Asked Questions

What is the IUPAC name of (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine?
The IUPAC name of (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine (CID 115051046) is (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine.
What is the SMILES notation for (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine?
The canonical SMILES for (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine is NCc1cn2ccc3cc(Br)ccc3c2n1.
What is the InChIKey of (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine?
The InChIKey is IPTPBQVXLCBQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3/c13-9-1-2-11-8(5-9)3-4-16-7-10(6-14)15-12(11)16/h1-5,7H,6,14H2.
What are the key properties of (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine?
(8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine has a molecular weight of 276.14 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromoimidazo[2,1-a]isoquinolin-2-yl)methanamine is sourced from PubChem (CID 115051046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).