ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate

C11H17N3O2 — CID 11953521

IUPACethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c([nH]1)CN(C)CC2
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)6-10-12-8-4-5-14(2)7-9(8)13-10/h3-7H2,1-2H3,(H,12,13)
InChIKeyZJXFJCGLYUJNPY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.50
Rot. Bonds3

About ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate

ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate (PubChem CID 11953521) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate
PubChem CID11953521
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c([nH]1)CN(C)CC2
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)6-10-12-8-4-5-14(2)7-9(8)13-10/h3-7H2,1-2H3,(H,12,13)
InChIKeyZJXFJCGLYUJNPY-UHFFFAOYSA-N
XLogP0.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate?
The IUPAC name of ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate (CID 11953521) is ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate is CCOC(=O)Cc1nc2c([nH]1)CN(C)CC2.
What is the InChIKey of ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate?
The InChIKey is ZJXFJCGLYUJNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-11(15)6-10-12-8-4-5-14(2)7-9(8)13-10/h3-7H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate?
ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate has a molecular weight of 223.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)acetate is sourced from PubChem (CID 11953521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).