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

C11H19Cl2N3O2 — CID 18537759

IUPACethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride
SMILESCCOC(=O)C(C)c1nc2c([nH]1)CNCC2.Cl.Cl
InChIInChI=1S/C11H17N3O2.2ClH/c1-3-16-11(15)7(2)10-13-8-4-5-12-6-9(8)14-10;;/h7,12H,3-6H2,1-2H3,(H,13,14);2*1H
InChIKeyBPNURUIODCTQOZ-UHFFFAOYSA-N
MW296.20 g/mol
LogP1.57
Rot. Bonds3

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

ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride (PubChem CID 18537759) has the molecular formula C11H19Cl2N3O2 and a molecular weight of 296.20 g/mol. Its IUPAC name is ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride
PubChem CID18537759
Molecular FormulaC11H19Cl2N3O2
Molecular Weight296.20 g/mol
Exact Mass295.09
IUPAC Nameethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride
SMILESCCOC(=O)C(C)c1nc2c([nH]1)CNCC2.Cl.Cl
InChIInChI=1S/C11H17N3O2.2ClH/c1-3-16-11(15)7(2)10-13-8-4-5-12-6-9(8)14-10;;/h7,12H,3-6H2,1-2H3,(H,13,14);2*1H
InChIKeyBPNURUIODCTQOZ-UHFFFAOYSA-N
XLogP1.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride?
The IUPAC name of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride (CID 18537759) is ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride.
What is the SMILES notation for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride?
The canonical SMILES for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride is CCOC(=O)C(C)c1nc2c([nH]1)CNCC2.Cl.Cl.
What is the InChIKey of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride?
The InChIKey is BPNURUIODCTQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.2ClH/c1-3-16-11(15)7(2)10-13-8-4-5-12-6-9(8)14-10;;/h7,12H,3-6H2,1-2H3,(H,13,14);2*1H.
What are the key properties of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride?
ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate;dihydrochloride has a molecular weight of 296.20 g/mol, XLogP of 1.57, 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)propanoate;dihydrochloride is sourced from PubChem (CID 18537759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).