3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol

C14H15BrN2O — CID 117248485

IUPAC3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESOC1CCc2c(Br)nc(Cc3ccccc3)n2C1
InChIInChI=1S/C14H15BrN2O/c15-14-12-7-6-11(18)9-17(12)13(16-14)8-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2
InChIKeyKZYNRCQCZLBOOW-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.54
Rot. Bonds2

About 3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol

3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (PubChem CID 117248485) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
PubChem CID117248485
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESOC1CCc2c(Br)nc(Cc3ccccc3)n2C1
InChIInChI=1S/C14H15BrN2O/c15-14-12-7-6-11(18)9-17(12)13(16-14)8-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2
InChIKeyKZYNRCQCZLBOOW-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The IUPAC name of 3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (CID 117248485) is 3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The canonical SMILES for 3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is OC1CCc2c(Br)nc(Cc3ccccc3)n2C1.
What is the InChIKey of 3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The InChIKey is KZYNRCQCZLBOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-14-12-7-6-11(18)9-17(12)13(16-14)8-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2.
What are the key properties of 3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol has a molecular weight of 307.19 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117248485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).