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

C15H18BrN3 — CID 84604244

IUPAC1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
SMILESCc1ccc(Br)cc1-c1nc(C)n2c1CC(N)CC2
InChIInChI=1S/C15H18BrN3/c1-9-3-4-11(16)7-13(9)15-14-8-12(17)5-6-19(14)10(2)18-15/h3-4,7,12H,5-6,8,17H2,1-2H3
InChIKeyPUOIGMRTGAJLHX-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.20
Rot. Bonds1

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

1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine (PubChem CID 84604244) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
PubChem CID84604244
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
SMILESCc1ccc(Br)cc1-c1nc(C)n2c1CC(N)CC2
InChIInChI=1S/C15H18BrN3/c1-9-3-4-11(16)7-13(9)15-14-8-12(17)5-6-19(14)10(2)18-15/h3-4,7,12H,5-6,8,17H2,1-2H3
InChIKeyPUOIGMRTGAJLHX-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine (CID 84604244) is 1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine is Cc1ccc(Br)cc1-c1nc(C)n2c1CC(N)CC2.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine?
The InChIKey is PUOIGMRTGAJLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-9-3-4-11(16)7-13(9)15-14-8-12(17)5-6-19(14)10(2)18-15/h3-4,7,12H,5-6,8,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine?
1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine has a molecular weight of 320.23 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 84604244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).