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

C15H17BrN2 — CID 117249171

IUPAC3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(Cc3ccccc3)nc(Br)c2C1
InChIInChI=1S/C15H17BrN2/c1-11-7-8-18-13(9-11)15(16)17-14(18)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyMHHTXYGDFSSGBU-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.82
Rot. Bonds2

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

3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117249171) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117249171
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(Cc3ccccc3)nc(Br)c2C1
InChIInChI=1S/C15H17BrN2/c1-11-7-8-18-13(9-11)15(16)17-14(18)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyMHHTXYGDFSSGBU-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine
CID 117247204
3-benzyl-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117248485
3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247740
1-bromo-7-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249314
1-bromo-3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249116
1-bromo-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117249504
1-bromo-3-(5-chlorofuran-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249120
1-bromo-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117249197
3-bromo-7-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124477
7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151565
1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248968
7-methyl-3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247240

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117249171) is 3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCn2c(Cc3ccccc3)nc(Br)c2C1.
What is the InChIKey of 3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is MHHTXYGDFSSGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-7-8-18-13(9-11)15(16)17-14(18)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
3-benzyl-1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 305.22 g/mol, XLogP of 3.82, 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-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117249171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).