methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate

C14H17N3O2 — CID 103544306

IUPACmethyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2ccc(C)c(C)c2)c1N
InChIInChI=1S/C14H17N3O2/c1-8-5-6-11(7-9(8)2)17-10(3)16-12(13(17)15)14(18)19-4/h5-7H,15H2,1-4H3
InChIKeyHNILOMMYJIZPCO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.17
Rot. Bonds2

About methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate

methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate (PubChem CID 103544306) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
PubChem CID103544306
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2ccc(C)c(C)c2)c1N
InChIInChI=1S/C14H17N3O2/c1-8-5-6-11(7-9(8)2)17-10(3)16-12(13(17)15)14(18)19-4/h5-7H,15H2,1-4H3
InChIKeyHNILOMMYJIZPCO-UHFFFAOYSA-N
XLogP2.17
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate
CID 103544266
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 5-amino-1-(3-fluoro-5-nitrophenyl)-2-methylimidazole-4-carboxylate
CID 107335574
methyl 5-amino-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
CID 103545401
methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 103544792
dimethyl 1-(3,4-dimethylphenyl)triazole-4,5-dicarboxylate
CID 7184649
methyl 5-amino-1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103545657
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
CID 103545034
ethyl 5-amino-1-[4-(cyanomethyl)phenyl]-2-methylimidazole-4-carboxylate
CID 62302708
methyl 5-amino-2-ethyl-1-(3,4,5-trifluorophenyl)imidazole-4-carboxylate
CID 103545375
methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate
CID 103544798

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate (CID 103544306) is methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(-c2ccc(C)c(C)c2)c1N.
What is the InChIKey of methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate?
The InChIKey is HNILOMMYJIZPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-5-6-11(7-9(8)2)17-10(3)16-12(13(17)15)14(18)19-4/h5-7H,15H2,1-4H3.
What are the key properties of methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.17, 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-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103544306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).