1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol

C14H15BrN2O — CID 117247956

IUPAC1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
SMILESCc1ccccc1-c1nc(Br)c2n1C(O)CCC2
InChIInChI=1S/C14H15BrN2O/c1-9-5-2-3-6-10(9)14-16-13(15)11-7-4-8-12(18)17(11)14/h2-3,5-6,12,18H,4,7-8H2,1H3
InChIKeyYCNYHWOVTKJMNP-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.45
Rot. Bonds1

About 1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol

1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol (PubChem CID 117247956) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
PubChem CID117247956
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
SMILESCc1ccccc1-c1nc(Br)c2n1C(O)CCC2
InChIInChI=1S/C14H15BrN2O/c1-9-5-2-3-6-10(9)14-16-13(15)11-7-4-8-12(18)17(11)14/h2-3,5-6,12,18H,4,7-8H2,1H3
InChIKeyYCNYHWOVTKJMNP-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The IUPAC name of 1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol (CID 117247956) is 1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The canonical SMILES for 1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol is Cc1ccccc1-c1nc(Br)c2n1C(O)CCC2.
What is the InChIKey of 1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The InChIKey is YCNYHWOVTKJMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-5-2-3-6-10(9)14-16-13(15)11-7-4-8-12(18)17(11)14/h2-3,5-6,12,18H,4,7-8H2,1H3.
What are the key properties of 1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol has a molecular weight of 307.19 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117247956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).