methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride

C6H11ClN2O2 — CID 166604106

IUPACmethyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CN(C)C=N1.Cl
InChIInChI=1S/C6H10N2O2.ClH/c1-8-3-5(7-4-8)6(9)10-2;/h4-5H,3H2,1-2H3;1H
InChIKeyFNXROGNEJPLQMD-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.08
Rot. Bonds1

About methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride

methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride (PubChem CID 166604106) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride
PubChem CID166604106
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Namemethyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CN(C)C=N1.Cl
InChIInChI=1S/C6H10N2O2.ClH/c1-8-3-5(7-4-8)6(9)10-2;/h4-5H,3H2,1-2H3;1H
InChIKeyFNXROGNEJPLQMD-UHFFFAOYSA-N
XLogP-0.08
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride (CID 166604106) is methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride is COC(=O)C1CN(C)C=N1.Cl.
What is the InChIKey of methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride?
The InChIKey is FNXROGNEJPLQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c1-8-3-5(7-4-8)6(9)10-2;/h4-5H,3H2,1-2H3;1H.
What are the key properties of methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride?
methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 166604106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).