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

C14H17N3O4 — CID 103544528

IUPACmethyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2cc(OC)ccc2OC)c1N
InChIInChI=1S/C14H17N3O4/c1-8-16-12(14(18)21-4)13(15)17(8)10-7-9(19-2)5-6-11(10)20-3/h5-7H,15H2,1-4H3
InChIKeyNLYAOIRSWJXDRY-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.57
Rot. Bonds4

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

methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate (PubChem CID 103544528) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate
PubChem CID103544528
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(-c2cc(OC)ccc2OC)c1N
InChIInChI=1S/C14H17N3O4/c1-8-16-12(14(18)21-4)13(15)17(8)10-7-9(19-2)5-6-11(10)20-3/h5-7H,15H2,1-4H3
InChIKeyNLYAOIRSWJXDRY-UHFFFAOYSA-N
XLogP1.57
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-1-(4-chloro-2-methoxy-5-methylphenyl)-2-methylimidazole-4-carboxylate
CID 103544590
methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
CID 103544306
methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate
CID 103544266
methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545394
methyl 5-amino-1-(5-bromo-2-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 103544792
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82198687
4-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 949684
3-(2,5-dimethoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81141726
methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545395
ethyl 5-amino-1-(2-bromo-5-fluorophenyl)-2-methylimidazole-4-carboxylate
CID 107630303
1-(2,5-dimethoxyphenyl)benzimidazol-2-amine
CID 43148885
1-(2,5-dimethoxyphenyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859466

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate (CID 103544528) is methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(-c2cc(OC)ccc2OC)c1N.
What is the InChIKey of methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate?
The InChIKey is NLYAOIRSWJXDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8-16-12(14(18)21-4)13(15)17(8)10-7-9(19-2)5-6-11(10)20-3/h5-7H,15H2,1-4H3.
What are the key properties of methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103544528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).