6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine

C20H18Br2N4 — CID 159230894

IUPAC6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine
SMILESCC(c1ccccc1)c1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1
InChIInChI=1S/C15H13BrN2.C5H5BrN2/c1-11(12-5-3-2-4-6-12)14-9-17-15-8-7-13(16)10-18(14)15;6-4-1-2-5(7)8-3-4/h2-11H,1H3;1-3H,(H2,7,8)
InChIKeyKSWPXGMALJLONS-UHFFFAOYSA-N
MW474.20 g/mol
LogP5.67
Rot. Bonds2

About 6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine

6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine (PubChem CID 159230894) has the molecular formula C20H18Br2N4 and a molecular weight of 474.20 g/mol. Its IUPAC name is 6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine
PubChem CID159230894
Molecular FormulaC20H18Br2N4
Molecular Weight474.20 g/mol
Exact Mass471.99
IUPAC Name6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine
SMILESCC(c1ccccc1)c1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1
InChIInChI=1S/C15H13BrN2.C5H5BrN2/c1-11(12-5-3-2-4-6-12)14-9-17-15-8-7-13(16)10-18(14)15;6-4-1-2-5(7)8-3-4/h2-11H,1H3;1-3H,(H2,7,8)
InChIKeyKSWPXGMALJLONS-UHFFFAOYSA-N
XLogP5.67
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.20
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromoimidazo[1,2-a]pyridin-3-yl)-phenylmethanol
CID 129053974
6-bromo-3-[(1S)-1-chloroethyl]imidazo[1,2-a]pyridine
CID 92939351
6-bromo-3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 130277420
5-bromopyridin-2-amine;hydrochloride
CID 22615197
3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898748
5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 76903182
3,6-di(propan-2-yl)imidazo[1,2-a]pyridine
CID 71042080
(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine
CID 65349324
3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 114028936
1-[(1S)-1-phenylethyl]imidazol-4-amine
CID 101471354
6-bromo-3-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 117256189
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 115651289

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine?
The IUPAC name of 6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine (CID 159230894) is 6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine?
The canonical SMILES for 6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine is CC(c1ccccc1)c1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1.
What is the InChIKey of 6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine?
The InChIKey is KSWPXGMALJLONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2.C5H5BrN2/c1-11(12-5-3-2-4-6-12)14-9-17-15-8-7-13(16)10-18(14)15;6-4-1-2-5(7)8-3-4/h2-11H,1H3;1-3H,(H2,7,8).
What are the key properties of 6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine?
6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine has a molecular weight of 474.20 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine is sourced from PubChem (CID 159230894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).