6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione

C13H16BrClN2O2 — CID 118598763

IUPAC6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCCCC1(CCC)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C13H16BrClN2O2/c1-3-5-13(6-4-2)16-11(18)10-9(15)7-8(14)12(19)17(10)13/h7H,3-6H2,1-2H3,(H,16,18)
InChIKeyRMPKQCMIZHOSSA-UHFFFAOYSA-N
MW347.64 g/mol
LogP3.26
Rot. Bonds4

About 6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione

6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598763) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598763
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCCCC1(CCC)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C13H16BrClN2O2/c1-3-5-13(6-4-2)16-11(18)10-9(15)7-8(14)12(19)17(10)13/h7H,3-6H2,1-2H3,(H,16,18)
InChIKeyRMPKQCMIZHOSSA-UHFFFAOYSA-N
XLogP3.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598763) is 6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione is CCCC1(CCC)NC(=O)c2c(Cl)cc(Br)c(=O)n21.
What is the InChIKey of 6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is RMPKQCMIZHOSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-3-5-13(6-4-2)16-11(18)10-9(15)7-8(14)12(19)17(10)13/h7H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 347.64 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).