3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C15H17BrN2 — CID 117247740

IUPAC3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2c(Br)nc(Cc3ccccc3)n21
InChIInChI=1S/C15H17BrN2/c1-11-6-5-9-13-15(16)17-14(18(11)13)10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyLBNMXTYGLHRSPW-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.13
Rot. Bonds2

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

3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117247740) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117247740
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2c(Br)nc(Cc3ccccc3)n21
InChIInChI=1S/C15H17BrN2/c1-11-6-5-9-13-15(16)17-14(18(11)13)10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyLBNMXTYGLHRSPW-UHFFFAOYSA-N
XLogP4.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117247740) is 3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCCc2c(Br)nc(Cc3ccccc3)n21.
What is the InChIKey of 3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is LBNMXTYGLHRSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-6-5-9-13-15(16)17-14(18(11)13)10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 305.22 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117247740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).