ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate

C12H16F3N3O2 — CID 106211501

IUPACethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C2(C(F)(F)F)CC2)c1N
InChIInChI=1S/C12H16F3N3O2/c1-3-7-17-8(10(19)20-4-2)9(16)18(7)11(5-6-11)12(13,14)15/h3-6,16H2,1-2H3
InChIKeyJIYGPMFELZMQQT-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.26
Rot. Bonds4

About ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate

ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate (PubChem CID 106211501) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate
PubChem CID106211501
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Nameethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C2(C(F)(F)F)CC2)c1N
InChIInChI=1S/C12H16F3N3O2/c1-3-7-17-8(10(19)20-4-2)9(16)18(7)11(5-6-11)12(13,14)15/h3-6,16H2,1-2H3
InChIKeyJIYGPMFELZMQQT-UHFFFAOYSA-N
XLogP2.26
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate
CID 102700414
ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate
CID 83023157
methyl 5-amino-2-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)imidazole-4-carboxylate
CID 103545192
ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate
CID 82946637
ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate
CID 106212313
ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate
CID 107589805
ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 107165086
ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
CID 80715218
ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645921
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 63302991

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate (CID 106211501) is ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(C2(C(F)(F)F)CC2)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate?
The InChIKey is JIYGPMFELZMQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-3-7-17-8(10(19)20-4-2)9(16)18(7)11(5-6-11)12(13,14)15/h3-6,16H2,1-2H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate has a molecular weight of 291.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate is sourced from PubChem (CID 106211501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).