ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate

C11H20N2O2 — CID 59102499

IUPACethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate
SMILESCCCC1=NC(C(=O)OCC)C(CC)N1
InChIInChI=1S/C11H20N2O2/c1-4-7-9-12-8(5-2)10(13-9)11(14)15-6-3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyGZRMOXMUIVFGNR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.50
Rot. Bonds5

About ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate

ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate (PubChem CID 59102499) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate
PubChem CID59102499
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate
SMILESCCCC1=NC(C(=O)OCC)C(CC)N1
InChIInChI=1S/C11H20N2O2/c1-4-7-9-12-8(5-2)10(13-9)11(14)15-6-3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyGZRMOXMUIVFGNR-UHFFFAOYSA-N
XLogP1.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Threo-2,5-dimethyl-4-carboethoxy-az-oxazoline
CID 129811815
methyl 2-propyl-4,5-dihydro-1H-imidazole-5-carboxylate
CID 68703572
ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate
CID 69087176
methyl 2-(oxan-4-yl)-4,5-dihydro-1H-imidazole-5-carboxylate
CID 118962376
Methyl 5-ethyl-2-propyl-5-sulfanyl-1,4-dihydroimidazole-4-carboxylate
CID 172697838
methyl 2-amino-2-(4,5-dihydro-1H-imidazol-2-yl)acetate
CID 173369184
Methyl 2,5-dimethyl-4,5-dihydro-1H-imidazole-4-carboxylate
CID 45082182
methyl 2-amino-3-(3,4-dihydro-2H-pyrrol-5-ylamino)propanoate
CID 84062215
Methyl 2-amino-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanoate
CID 84075254
methyl 3-(3,4-dihydro-2H-pyrrol-5-ylamino)butanoate
CID 84075703
methyl 2-(3-aminopropyl)-4,5-dihydro-1H-imidazole-5-carboxylate
CID 105441636
methyl 2-[2-(methylamino)propyl]-4,5-dihydro-1H-imidazole-5-carboxylate
CID 105452194

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate (CID 59102499) is ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate is CCCC1=NC(C(=O)OCC)C(CC)N1.
What is the InChIKey of ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate?
The InChIKey is GZRMOXMUIVFGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-7-9-12-8(5-2)10(13-9)11(14)15-6-3/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate?
ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-propyl-4,5-dihydro-1H-imidazole-4-carboxylate is sourced from PubChem (CID 59102499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).