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

C12H19ClN2O4 — CID 67024452

IUPACdiethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride
SMILESCCCc1nc(C(=O)OCC)c(C(=O)OCC)[nH]1.Cl
InChIInChI=1S/C12H18N2O4.ClH/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3;/h4-7H2,1-3H3,(H,13,14);1H
InChIKeyPRWPMDBUGXGCAZ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.14
Rot. Bonds6

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

diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride (PubChem CID 67024452) has the molecular formula C12H19ClN2O4 and a molecular weight of 290.75 g/mol. Its IUPAC name is diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride.

Molecular Properties

Compound Namediethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride
PubChem CID67024452
Molecular FormulaC12H19ClN2O4
Molecular Weight290.75 g/mol
Exact Mass290.10
IUPAC Namediethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride
SMILESCCCc1nc(C(=O)OCC)c(C(=O)OCC)[nH]1.Cl
InChIInChI=1S/C12H18N2O4.ClH/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3;/h4-7H2,1-3H3,(H,13,14);1H
InChIKeyPRWPMDBUGXGCAZ-UHFFFAOYSA-N
XLogP2.14
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2-butyl-1H-imidazole-4,5-dicarboxylate
CID 10611949
ethyl 5-[(2S)-2-hydroxybutan-2-yl]-2-propyl-1H-imidazole-4-carboxylate
CID 86313321
ethyl 2-butyl-5-chloro-1H-imidazole-4-carboxylate
CID 18950842
ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate
CID 63356019
ethyl 2-ethyl-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
CID 95498234
4-hydroxy-2-propyl-1H-imidazole-5-carboxamide
CID 12901487
ethyl 2-propyl-1H-imidazole-5-carboxylate
CID 10607505
diethyl 2-sulfanylidene-1,3-dihydroimidazole-4,5-dicarboxylate
CID 4271345
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2-butyl-4-phenylsulfanyl-1H-imidazole-5-carboxylate
CID 11833650
1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone
CID 22574990
ethyl 3-butyl-5-oxo-4H-1,2,4-triazine-6-carboxylate
CID 135625474

Frequently Asked Questions

What is the IUPAC name of diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride?
The IUPAC name of diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride (CID 67024452) is diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride.
What is the SMILES notation for diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride?
The canonical SMILES for diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride is CCCc1nc(C(=O)OCC)c(C(=O)OCC)[nH]1.Cl.
What is the InChIKey of diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride?
The InChIKey is PRWPMDBUGXGCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4.ClH/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3;/h4-7H2,1-3H3,(H,13,14);1H.
What are the key properties of diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride?
diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride is sourced from PubChem (CID 67024452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).