methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate

C9H12F3N3O2 — CID 103544613

IUPACmethyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-3-5-14-6(8(16)17-2)7(13)15(5)4-9(10,11)12/h3-4,13H2,1-2H3
InChIKeyCFDYSNFZXNUGLN-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.38
Rot. Bonds3

About methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate (PubChem CID 103544613) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
PubChem CID103544613
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Namemethyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-3-5-14-6(8(16)17-2)7(13)15(5)4-9(10,11)12/h3-4,13H2,1-2H3
InChIKeyCFDYSNFZXNUGLN-UHFFFAOYSA-N
XLogP1.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
CID 103544322
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811
methyl 5-amino-2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazole-4-carboxylate
CID 106302530
methyl 5-amino-2-ethyl-1-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxylate
CID 103546091
methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
CID 103546153
methyl 5-amino-2-ethyl-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 103546188
methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 103545998
methyl 5-amino-1-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethylimidazole-4-carboxylate
CID 103546304

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate (CID 103544613) is methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1CC(F)(F)F.
What is the InChIKey of methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate?
The InChIKey is CFDYSNFZXNUGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-3-5-14-6(8(16)17-2)7(13)15(5)4-9(10,11)12/h3-4,13H2,1-2H3.
What are the key properties of methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate has a molecular weight of 251.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate is sourced from PubChem (CID 103544613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).