methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

C13H14N2O4 — CID 117225123

IUPACmethyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCOC(=O)c1[nH]c(=O)[nH]c1Cc1ccccc1OC
InChIInChI=1S/C13H14N2O4/c1-18-10-6-4-3-5-8(10)7-9-11(12(16)19-2)15-13(17)14-9/h3-6H,7H2,1-2H3,(H2,14,15,17)
InChIKeyBQHOVSJYYFJVSI-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.09
Rot. Bonds4

About methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (PubChem CID 117225123) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
PubChem CID117225123
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCOC(=O)c1[nH]c(=O)[nH]c1Cc1ccccc1OC
InChIInChI=1S/C13H14N2O4/c1-18-10-6-4-3-5-8(10)7-9-11(12(16)19-2)15-13(17)14-9/h3-6H,7H2,1-2H3,(H2,14,15,17)
InChIKeyBQHOVSJYYFJVSI-UHFFFAOYSA-N
XLogP1.09
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 117224670
methyl 4-[(2-methoxyphenyl)methyl]-3-methyl-2-sulfanylidene-1H-imidazole-5-carboxylate
CID 117225129
methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 126838020
azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate
CID 44660539
methyl 4-amino-2-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647642
methyl 5-(2-bromophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225220
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
2-[(2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846802
N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701179
2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 61263830
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225231

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (CID 117225123) is methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is COC(=O)c1[nH]c(=O)[nH]c1Cc1ccccc1OC.
What is the InChIKey of methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is BQHOVSJYYFJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-10-6-4-3-5-8(10)7-9-11(12(16)19-2)15-13(17)14-9/h3-6H,7H2,1-2H3,(H2,14,15,17).
What are the key properties of methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 117225123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).