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

C15H19N3O3 — CID 103545394

IUPACmethyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1-c1ccc(OC)cc1C
InChIInChI=1S/C15H19N3O3/c1-5-12-17-13(15(19)21-4)14(16)18(12)11-7-6-10(20-3)8-9(11)2/h6-8H,5,16H2,1-4H3
InChIKeyXFKRFJJNZQQVIT-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.12
Rot. Bonds4

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

methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate (PubChem CID 103545394) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
PubChem CID103545394
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1-c1ccc(OC)cc1C
InChIInChI=1S/C15H19N3O3/c1-5-12-17-13(15(19)21-4)14(16)18(12)11-7-6-10(20-3)8-9(11)2/h6-8H,5,16H2,1-4H3
InChIKeyXFKRFJJNZQQVIT-UHFFFAOYSA-N
XLogP2.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(2,6-dimethyl-3-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103545777
methyl 5-amino-1-(2-bromo-4-methylphenyl)-2-ethylimidazole-4-carboxylate
CID 103544566
methyl 5-amino-1-(2,4-dichlorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544472
methyl 5-amino-1-(2-bromophenyl)-2-ethylimidazole-4-carboxylate
CID 103544311
methyl 5-amino-1-(5-bromo-2,4-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103546310
methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545395
methyl 5-amino-1-(4-bromo-2,6-dimethylphenyl)-2-ethylimidazole-4-carboxylate
CID 103545667
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
CID 103545034
methyl 5-amino-1-(2,5-dimethoxyphenyl)-2-methylimidazole-4-carboxylate
CID 103544528
methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-amino-2-ethyl-1-(6-methyl-2-pyridinyl)imidazole-4-carboxylate
CID 103544227
methyl 5-amino-2-ethyl-1-(3,4,5-trifluorophenyl)imidazole-4-carboxylate
CID 103545375

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate (CID 103545394) is methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1-c1ccc(OC)cc1C.
What is the InChIKey of methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate?
The InChIKey is XFKRFJJNZQQVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-5-12-17-13(15(19)21-4)14(16)18(12)11-7-6-10(20-3)8-9(11)2/h6-8H,5,16H2,1-4H3.
What are the key properties of methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate is sourced from PubChem (CID 103545394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).