6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione

C11H13ClN2O2 — CID 118598591

IUPAC6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC(C)C1(C)NC(=O)c2ccc(Cl)c(=O)n21
InChIInChI=1S/C11H13ClN2O2/c1-6(2)11(3)13-9(15)8-5-4-7(12)10(16)14(8)11/h4-6H,1-3H3,(H,13,15)
InChIKeyFGXZMJWSYKFHRO-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.57
Rot. Bonds1

About 6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione

6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598591) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598591
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC(C)C1(C)NC(=O)c2ccc(Cl)c(=O)n21
InChIInChI=1S/C11H13ClN2O2/c1-6(2)11(3)13-9(15)8-5-4-7(12)10(16)14(8)11/h4-6H,1-3H3,(H,13,15)
InChIKeyFGXZMJWSYKFHRO-UHFFFAOYSA-N
XLogP1.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598591) is 6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione is CC(C)C1(C)NC(=O)c2ccc(Cl)c(=O)n21.
What is the InChIKey of 6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is FGXZMJWSYKFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-6(2)11(3)13-9(15)8-5-4-7(12)10(16)14(8)11/h4-6H,1-3H3,(H,13,15).
What are the key properties of 6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 240.69 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-3-propan-2-yl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).