3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine

C15H16BrN3O — CID 84609820

IUPAC3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2c(-c3ccc4c(c3)CCO4)nc(Br)n2C1
InChIInChI=1S/C15H16BrN3O/c16-15-18-14(12-3-2-11(17)8-19(12)15)10-1-4-13-9(7-10)5-6-20-13/h1,4,7,11H,2-3,5-6,8,17H2
InChIKeyRGMWDEMDHKQJCU-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.52
Rot. Bonds1

About 3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine

3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (PubChem CID 84609820) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
PubChem CID84609820
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2c(-c3ccc4c(c3)CCO4)nc(Br)n2C1
InChIInChI=1S/C15H16BrN3O/c16-15-18-14(12-3-2-11(17)8-19(12)15)10-1-4-13-9(7-10)5-6-20-13/h1,4,7,11H,2-3,5-6,8,17H2
InChIKeyRGMWDEMDHKQJCU-UHFFFAOYSA-N
XLogP2.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532675
3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine
CID 107383052
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
6,8-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-amine
CID 63617606
(3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
CID 59341805
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]cyclooctan-1-amine
CID 120892331

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The IUPAC name of 3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (CID 84609820) is 3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The canonical SMILES for 3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is NC1CCc2c(-c3ccc4c(c3)CCO4)nc(Br)n2C1.
What is the InChIKey of 3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The InChIKey is RGMWDEMDHKQJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-15-18-14(12-3-2-11(17)8-19(12)15)10-1-4-13-9(7-10)5-6-20-13/h1,4,7,11H,2-3,5-6,8,17H2.
What are the key properties of 3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine has a molecular weight of 334.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 84609820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).