1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C11H17BrN2 — CID 83844220

IUPAC1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(C(C)C)nc(Br)c2C1
InChIInChI=1S/C11H17BrN2/c1-7(2)11-13-10(12)9-6-8(3)4-5-14(9)11/h7-8H,4-6H2,1-3H3
InChIKeyBPQXFZQERPWOOY-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.35
Rot. Bonds1

About 1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 83844220) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID83844220
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(C(C)C)nc(Br)c2C1
InChIInChI=1S/C11H17BrN2/c1-7(2)11-13-10(12)9-6-8(3)4-5-14(9)11/h7-8H,4-6H2,1-3H3
InChIKeyBPQXFZQERPWOOY-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 83844220) is 1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCn2c(C(C)C)nc(Br)c2C1.
What is the InChIKey of 1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is BPQXFZQERPWOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-7(2)11-13-10(12)9-6-8(3)4-5-14(9)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 257.17 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 83844220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).