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

C15H17BrN2 — CID 117247910

IUPAC1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCc1cccc(-c2nc(Br)c3n2C(C)CCC3)c1
InChIInChI=1S/C15H17BrN2/c1-10-5-3-7-12(9-10)15-17-14(16)13-8-4-6-11(2)18(13)15/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyKZUIGIFMMRIYGO-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.52
Rot. Bonds1

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

1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117247910) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117247910
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCc1cccc(-c2nc(Br)c3n2C(C)CCC3)c1
InChIInChI=1S/C15H17BrN2/c1-10-5-3-7-12(9-10)15-17-14(16)13-8-4-6-11(2)18(13)15/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyKZUIGIFMMRIYGO-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117247910) is 1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is Cc1cccc(-c2nc(Br)c3n2C(C)CCC3)c1.
What is the InChIKey of 1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is KZUIGIFMMRIYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10-5-3-7-12(9-10)15-17-14(16)13-8-4-6-11(2)18(13)15/h3,5,7,9,11H,4,6,8H2,1-2H3.
What are the key properties of 1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 305.22 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117247910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).