6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine

C18H18BrN3O2 — CID 58164103

IUPAC6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cn1c(C2COc3ccccc3O2)nc2ncc(Br)cc21
InChIInChI=1S/C18H18BrN3O2/c1-11(2)9-22-13-7-12(19)8-20-17(13)21-18(22)16-10-23-14-5-3-4-6-15(14)24-16/h3-8,11,16H,9-10H2,1-2H3
InChIKeyQKVJGUZJKRBYPU-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.36
Rot. Bonds3

About 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine

6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine (PubChem CID 58164103) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine
PubChem CID58164103
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cn1c(C2COc3ccccc3O2)nc2ncc(Br)cc21
InChIInChI=1S/C18H18BrN3O2/c1-11(2)9-22-13-7-12(19)8-20-17(13)21-18(22)16-10-23-14-5-3-4-6-15(14)24-16/h3-8,11,16H,9-10H2,1-2H3
InChIKeyQKVJGUZJKRBYPU-UHFFFAOYSA-N
XLogP4.36
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine (CID 58164103) is 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine is CC(C)Cn1c(C2COc3ccccc3O2)nc2ncc(Br)cc21.
What is the InChIKey of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is QKVJGUZJKRBYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-11(2)9-22-13-7-12(19)8-20-17(13)21-18(22)16-10-23-14-5-3-4-6-15(14)24-16/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine?
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 388.27 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 58164103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).