ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride

C18H23ClN2O3 — CID 3059523

IUPACethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride
SMILESCCOC(=O)CCC1N=C2CCC(c3ccccc3)CN2C1=O.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-2-23-17(21)11-9-15-18(22)20-12-14(8-10-16(20)19-15)13-6-4-3-5-7-13;/h3-7,14-15H,2,8-12H2,1H3;1H
InChIKeyWOITXZXKYJYJHL-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.94
Rot. Bonds5

About ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride

ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride (PubChem CID 3059523) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride
PubChem CID3059523
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Nameethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride
SMILESCCOC(=O)CCC1N=C2CCC(c3ccccc3)CN2C1=O.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-2-23-17(21)11-9-15-18(22)20-12-14(8-10-16(20)19-15)13-6-4-3-5-7-13;/h3-7,14-15H,2,8-12H2,1H3;1H
InChIKeyWOITXZXKYJYJHL-UHFFFAOYSA-N
XLogP2.94
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride 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 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride?
The IUPAC name of ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride (CID 3059523) is ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride is CCOC(=O)CCC1N=C2CCC(c3ccccc3)CN2C1=O.Cl.
What is the InChIKey of ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride?
The InChIKey is WOITXZXKYJYJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-2-23-17(21)11-9-15-18(22)20-12-14(8-10-16(20)19-15)13-6-4-3-5-7-13;/h3-7,14-15H,2,8-12H2,1H3;1H.
What are the key properties of ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride?
ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate;hydrochloride is sourced from PubChem (CID 3059523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).