diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride

C10H15ClN2O4 — CID 2828838

IUPACdiethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride
SMILESCCOC(=O)c1nc(C)[nH]c1C(=O)OCC.Cl
InChIInChI=1S/C10H14N2O4.ClH/c1-4-15-9(13)7-8(10(14)16-5-2)12-6(3)11-7;/h4-5H2,1-3H3,(H,11,12);1H
InChIKeyRIOLKRVRUGOFFQ-UHFFFAOYSA-N
MW262.69 g/mol
LogP1.49
Rot. Bonds4

About diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride

diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride (PubChem CID 2828838) has the molecular formula C10H15ClN2O4 and a molecular weight of 262.69 g/mol. Its IUPAC name is diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride.

Molecular Properties

Compound Namediethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride
PubChem CID2828838
Molecular FormulaC10H15ClN2O4
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Namediethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride
SMILESCCOC(=O)c1nc(C)[nH]c1C(=O)OCC.Cl
InChIInChI=1S/C10H14N2O4.ClH/c1-4-15-9(13)7-8(10(14)16-5-2)12-6(3)11-7;/h4-5H2,1-3H3,(H,11,12);1H
InChIKeyRIOLKRVRUGOFFQ-UHFFFAOYSA-N
XLogP1.49
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester
CID 76810
4-(ethoxycarbonyl)-1H-imidazole-5-carboxylic acid
CID 649109
Ethyl 4-methyl-5-imidazolcarboxylate
CID 99200
2-methyl-1H-imidazole-4,5-dicarboxylic acid
CID 79201
Diethyl 1H-imidazole-4,5-dicarboxylate
CID 350670
diethyl 4-amino-1H-imidazole-2,5-dicarboxylate
CID 660541
Brl 51308
CID 135443541
ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride
CID 44522525
dibutyl 1H-imidazole-4,5-dicarboxylate
CID 5100678
Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate
CID 21947693
ethyl 2,4-dimethyl-1H-imidazole-5-carboxylate
CID 318417
2-Propyl-1H-imidazole-4,5-dicarboxylic acid
CID 10236071

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride?
The IUPAC name of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride (CID 2828838) is diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride.
What is the SMILES notation for diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride?
The canonical SMILES for diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride is CCOC(=O)c1nc(C)[nH]c1C(=O)OCC.Cl.
What is the InChIKey of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride?
The InChIKey is RIOLKRVRUGOFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4.ClH/c1-4-15-9(13)7-8(10(14)16-5-2)12-6(3)11-7;/h4-5H2,1-3H3,(H,11,12);1H.
What are the key properties of diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride?
diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride has a molecular weight of 262.69 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride is sourced from PubChem (CID 2828838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).