methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate

C14H16FN3O2 — CID 103544322

IUPACmethyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2/c1-3-11-17-12(14(19)20-2)13(16)18(11)8-9-4-6-10(15)7-5-9/h4-7H,3,8,16H2,1-2H3
InChIKeyJKTPROGXYREBJF-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.00
Rot. Bonds4

About methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate (PubChem CID 103544322) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
PubChem CID103544322
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Namemethyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2/c1-3-11-17-12(14(19)20-2)13(16)18(11)8-9-4-6-10(15)7-5-9/h4-7H,3,8,16H2,1-2H3
InChIKeyJKTPROGXYREBJF-UHFFFAOYSA-N
XLogP2.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylimidazole-4-carboxylate
CID 103545352
methyl 5-amino-2-ethyl-1-[(6-methoxy-3-pyridinyl)methyl]imidazole-4-carboxylate
CID 103545427
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate
CID 103545137
methyl 5-amino-2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazole-4-carboxylate
CID 106302530
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate
CID 106376263
methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate
CID 107853736

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate (CID 103544322) is methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1Cc1ccc(F)cc1.
What is the InChIKey of methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate?
The InChIKey is JKTPROGXYREBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-3-11-17-12(14(19)20-2)13(16)18(11)8-9-4-6-10(15)7-5-9/h4-7H,3,8,16H2,1-2H3.
What are the key properties of methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate has a molecular weight of 277.30 g/mol, XLogP of 2.00, 4 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-[(4-fluorophenyl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 103544322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).