ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate

C10H15N3O2 — CID 71742132

IUPACethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c([nH]1)CNCC2
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)5-9-12-7-3-4-11-6-8(7)13-9/h11H,2-6H2,1H3,(H,12,13)
InChIKeyRNLYLZPZVHHFGF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.16
Rot. Bonds3

About ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate

ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate (PubChem CID 71742132) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate
PubChem CID71742132
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2c([nH]1)CNCC2
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)5-9-12-7-3-4-11-6-8(7)13-9/h11H,2-6H2,1H3,(H,12,13)
InChIKeyRNLYLZPZVHHFGF-UHFFFAOYSA-N
XLogP0.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate?
The IUPAC name of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate (CID 71742132) is ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate is CCOC(=O)Cc1nc2c([nH]1)CNCC2.
What is the InChIKey of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate?
The InChIKey is RNLYLZPZVHHFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-10(14)5-9-12-7-3-4-11-6-8(7)13-9/h11H,2-6H2,1H3,(H,12,13).
What are the key properties of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate?
ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate has a molecular weight of 209.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate is sourced from PubChem (CID 71742132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).