methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate

C15H19N3O3 — CID 103545034

IUPACmethyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
SMILESCCOc1cccc(-n2c(CC)nc(C(=O)OC)c2N)c1
InChIInChI=1S/C15H19N3O3/c1-4-12-17-13(15(19)20-3)14(16)18(12)10-7-6-8-11(9-10)21-5-2/h6-9H,4-5,16H2,1-3H3
InChIKeyKLHFGNIKMAAYMJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.20
Rot. Bonds5

About methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate

methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate (PubChem CID 103545034) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
PubChem CID103545034
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
SMILESCCOc1cccc(-n2c(CC)nc(C(=O)OC)c2N)c1
InChIInChI=1S/C15H19N3O3/c1-4-12-17-13(15(19)20-3)14(16)18(12)10-7-6-8-11(9-10)21-5-2/h6-9H,4-5,16H2,1-3H3
InChIKeyKLHFGNIKMAAYMJ-UHFFFAOYSA-N
XLogP2.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-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-2-ethyl-1-(3,4,5-trifluorophenyl)imidazole-4-carboxylate
CID 103545375
methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-amino-1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103545657
methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
CID 103544227
methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545394
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
CID 103544311
methyl 5-amino-1-(3-chloro-2-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103546323
methyl 5-amino-1-(2,6-dimethyl-3-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103545777
methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate
CID 103544795
methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63981532
methyl 5-amino-1-(2-chloro-6-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103546244
methyl 5-amino-1-(4-bromo-2,6-dimethylphenyl)-2-ethylimidazole-4-carboxylate
CID 103545667

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate (CID 103545034) is methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate is CCOc1cccc(-n2c(CC)nc(C(=O)OC)c2N)c1.
What is the InChIKey of methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate?
The InChIKey is KLHFGNIKMAAYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-12-17-13(15(19)20-3)14(16)18(12)10-7-6-8-11(9-10)21-5-2/h6-9H,4-5,16H2,1-3H3.
What are the key properties of methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate?
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 2.20, 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-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 103545034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).