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

C13H19BrN2 — CID 117248114

IUPAC1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2c(Br)nc(C3CCCC3)n21
InChIInChI=1S/C13H19BrN2/c1-9-5-4-8-11-12(14)15-13(16(9)11)10-6-2-3-7-10/h9-10H,2-8H2,1H3
InChIKeyBTMYLFXXLCRKLM-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.20
Rot. Bonds1

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

1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117248114) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117248114
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2c(Br)nc(C3CCCC3)n21
InChIInChI=1S/C13H19BrN2/c1-9-5-4-8-11-12(14)15-13(16(9)11)10-6-2-3-7-10/h9-10H,2-8H2,1H3
InChIKeyBTMYLFXXLCRKLM-UHFFFAOYSA-N
XLogP4.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117248114) is 1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCCc2c(Br)nc(C3CCCC3)n21.
What is the InChIKey of 1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is BTMYLFXXLCRKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-5-4-8-11-12(14)15-13(16(9)11)10-6-2-3-7-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 283.21 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117248114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).