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

C13H14N2O3 — CID 43445134

IUPACmethyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2OC)[nH]c1C
InChIInChI=1S/C13H14N2O3/c1-8-11(13(16)18-3)15-12(14-8)9-6-4-5-7-10(9)17-2/h4-7H,1-3H3,(H,14,15)
InChIKeyOFDHEZHNHLXZNR-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.18
Rot. Bonds3

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

methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate (PubChem CID 43445134) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
PubChem CID43445134
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2OC)[nH]c1C
InChIInChI=1S/C13H14N2O3/c1-8-11(13(16)18-3)15-12(14-8)9-6-4-5-7-10(9)17-2/h4-7H,1-3H3,(H,14,15)
InChIKeyOFDHEZHNHLXZNR-UHFFFAOYSA-N
XLogP2.18
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The IUPAC name of methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate (CID 43445134) is methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate is COC(=O)c1nc(-c2ccccc2OC)[nH]c1C.
What is the InChIKey of methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The InChIKey is OFDHEZHNHLXZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-11(13(16)18-3)15-12(14-8)9-6-4-5-7-10(9)17-2/h4-7H,1-3H3,(H,14,15).
What are the key properties of methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 43445134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).