methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate

C13H14FN3O2 — CID 103544266

IUPACmethyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2ccc(F)cc2C)c1N
InChIInChI=1S/C13H14FN3O2/c1-7-6-9(14)4-5-10(7)17-8(2)16-11(12(17)15)13(18)19-3/h4-6H,15H2,1-3H3
InChIKeyDNGKXKKFRBJDSO-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.00
Rot. Bonds2

About methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate

methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate (PubChem CID 103544266) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate
PubChem CID103544266
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Namemethyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2ccc(F)cc2C)c1N
InChIInChI=1S/C13H14FN3O2/c1-7-6-9(14)4-5-10(7)17-8(2)16-11(12(17)15)13(18)19-3/h4-6H,15H2,1-3H3
InChIKeyDNGKXKKFRBJDSO-UHFFFAOYSA-N
XLogP2.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 103544792
ethyl 5-amino-1-(2-bromo-5-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 107630303
methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
CID 103544306
methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate
CID 103544528
methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate
CID 103544590
methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 63953235
methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545394
methyl 5-amino-1-(3-fluoro-5-nitrophenyl)-2-methylimidazole-4-carboxylate
CID 107335574
methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate
CID 103544798
ethyl 5-amino-1-(2,6-dichloro-4-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 83079131
methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 114076131

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate (CID 103544266) is methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(-c2ccc(F)cc2C)c1N.
What is the InChIKey of methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate?
The InChIKey is DNGKXKKFRBJDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-7-6-9(14)4-5-10(7)17-8(2)16-11(12(17)15)13(18)19-3/h4-6H,15H2,1-3H3.
What are the key properties of methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103544266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).