methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate

C14H17N3O3 — CID 103544901

IUPACmethyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(CCOc2cccc(C)c2)c1N
InChIInChI=1S/C14H17N3O3/c1-10-4-3-5-11(8-10)20-7-6-17-9-16-12(13(17)15)14(18)19-2/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyNHGIIOCOZQUBOD-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.64
Rot. Bonds5

About methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate

methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate (PubChem CID 103544901) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate
PubChem CID103544901
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(CCOc2cccc(C)c2)c1N
InChIInChI=1S/C14H17N3O3/c1-10-4-3-5-11(8-10)20-7-6-17-9-16-12(13(17)15)14(18)19-2/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyNHGIIOCOZQUBOD-UHFFFAOYSA-N
XLogP1.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-[2-(2-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545766
methyl 5-amino-1-[2-(2,2-difluoroethoxy)ethyl]imidazole-4-carboxylate
CID 114128436
ethyl 5-amino-1-[4-(3-methylphenoxy)butyl]triazole-4-carboxylate
CID 94945292
propan-2-yl 5-amino-1-[2-(3-methylphenoxy)ethyl]triazole-4-carboxylate
CID 82209134
methyl 5-amino-1-pent-3-ynylimidazole-4-carboxylate
CID 103546247
methyl 3-amino-5-[2-(3-methylphenoxy)ethylamino]-1,2-thiazole-4-carboxylate
CID 103379213
5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
CID 82301521
ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
CID 47110276
ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate
CID 79317699
2-methyl-3-[2-(3-methylphenoxy)ethylamino]butanoic acid
CID 79392076
5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine
CID 51000041
dimethyl 1-methyl-3-[(3-methylphenoxy)methyl]pyrrole-2,5-dicarboxylate
CID 13179846

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate (CID 103544901) is methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate is COC(=O)c1ncn(CCOc2cccc(C)c2)c1N.
What is the InChIKey of methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate?
The InChIKey is NHGIIOCOZQUBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-4-3-5-11(8-10)20-7-6-17-9-16-12(13(17)15)14(18)19-2/h3-5,8-9H,6-7,15H2,1-2H3.
What are the key properties of methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate?
methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 103544901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).