methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate

C13H15N3O3 — CID 103545395

IUPACmethyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(-c2ccc(OC)cc2C)c1N
InChIInChI=1S/C13H15N3O3/c1-8-6-9(18-2)4-5-10(8)16-7-15-11(12(16)14)13(17)19-3/h4-7H,14H2,1-3H3
InChIKeyHULWBOKWTNNPFP-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.56
Rot. Bonds3

About methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate

methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate (PubChem CID 103545395) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
PubChem CID103545395
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(-c2ccc(OC)cc2C)c1N
InChIInChI=1S/C13H15N3O3/c1-8-6-9(18-2)4-5-10(8)16-7-15-11(12(16)14)13(17)19-3/h4-7H,14H2,1-3H3
InChIKeyHULWBOKWTNNPFP-UHFFFAOYSA-N
XLogP1.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(5-iodo-2-methylphenyl)imidazole-4-carboxylate
CID 114257914
methyl 5-amino-1-(5-cyano-2-methylphenyl)imidazole-4-carboxylate
CID 103545288
methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545394
methyl 5-amino-1-(2,4,5-trichlorophenyl)imidazole-4-carboxylate
CID 103544569
methyl 5-amino-1-(2-methyl-3-nitrophenyl)imidazole-4-carboxylate
CID 107810117
3-(4-methoxy-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933322
ethyl 5-amino-1-(3-bromo-5-methoxyphenyl)imidazole-4-carboxylate
CID 82858936
methyl 5-amino-1-(3-chloro-2-fluorophenyl)imidazole-4-carboxylate
CID 103544659
methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate
CID 103544528
methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate
CID 58894578
1-(4-methoxy-2-methylphenyl)pyrrole-2-carboxylic acid
CID 62872096
methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate
CID 114251426

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate (CID 103545395) is methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate is COC(=O)c1ncn(-c2ccc(OC)cc2C)c1N.
What is the InChIKey of methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate?
The InChIKey is HULWBOKWTNNPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-6-9(18-2)4-5-10(8)16-7-15-11(12(16)14)13(17)19-3/h4-7H,14H2,1-3H3.
What are the key properties of methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate?
methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate is sourced from PubChem (CID 103545395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).