ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate

C14H25N3O3 — CID 82946637

IUPACethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate
SMILESCCCOCCCn1c(CC)nc(C(=O)OCC)c1N
InChIInChI=1S/C14H25N3O3/c1-4-9-19-10-7-8-17-11(5-2)16-12(13(17)15)14(18)20-6-3/h4-10,15H2,1-3H3
InChIKeyONHPIFJMZMYUKR-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.02
Rot. Bonds9

About ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate

ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate (PubChem CID 82946637) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate
PubChem CID82946637
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate
SMILESCCCOCCCn1c(CC)nc(C(=O)OCC)c1N
InChIInChI=1S/C14H25N3O3/c1-4-9-19-10-7-8-17-11(5-2)16-12(13(17)15)14(18)20-6-3/h4-10,15H2,1-3H3
InChIKeyONHPIFJMZMYUKR-UHFFFAOYSA-N
XLogP2.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
CID 103546153
methyl 5-amino-2-ethyl-1-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxylate
CID 103546091
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate
CID 102700414
ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate
CID 65232235
ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 63302991
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate
CID 83023157
ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate
CID 106211501
methyl 5-amino-2-ethyl-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 103546188
ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate
CID 107589805
2-ethyl-1-(3-propoxypropyl)benzimidazole-5-carboxylic acid
CID 82940831

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate (CID 82946637) is ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate is CCCOCCCn1c(CC)nc(C(=O)OCC)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate?
The InChIKey is ONHPIFJMZMYUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-9-19-10-7-8-17-11(5-2)16-12(13(17)15)14(18)20-6-3/h4-10,15H2,1-3H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate is sourced from PubChem (CID 82946637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).