methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate

C13H14N2O4 — CID 117225231

IUPACmethyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(=O)n(C)c1-c1ccccc1OC
InChIInChI=1S/C13H14N2O4/c1-15-11(8-6-4-5-7-9(8)18-2)10(12(16)19-3)14-13(15)17/h4-7H,1-3H3,(H,14,17)
InChIKeyJKERXTQAHRBIFW-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.18
Rot. Bonds3

About methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate

methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate (PubChem CID 117225231) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
PubChem CID117225231
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(=O)n(C)c1-c1ccccc1OC
InChIInChI=1S/C13H14N2O4/c1-15-11(8-6-4-5-7-9(8)18-2)10(12(16)19-3)14-13(15)17/h4-7H,1-3H3,(H,14,17)
InChIKeyJKERXTQAHRBIFW-UHFFFAOYSA-N
XLogP1.18
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-bromophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225243
methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225195
4-(2-fluorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
CID 117225051
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
methyl 4-[(2-methoxyphenyl)methyl]-3-methyl-2-sulfanylidene-1H-imidazole-5-carboxylate
CID 117225129
methyl 2-(2-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 10922361
methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225123
methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate
CID 43445130
5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828514
3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one
CID 67644966

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate (CID 117225231) is methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate is COC(=O)c1[nH]c(=O)n(C)c1-c1ccccc1OC.
What is the InChIKey of methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate?
The InChIKey is JKERXTQAHRBIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15-11(8-6-4-5-7-9(8)18-2)10(12(16)19-3)14-13(15)17/h4-7H,1-3H3,(H,14,17).
What are the key properties of methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate?
methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate is sourced from PubChem (CID 117225231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).