methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate

C15H18N2O3 — CID 90033625

IUPACmethyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate
SMILESCOCc1ncc(-c2cc(C(=O)OC)c(C)cc2C)[nH]1
InChIInChI=1S/C15H18N2O3/c1-9-5-10(2)12(15(18)20-4)6-11(9)13-7-16-14(17-13)8-19-3/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyWWUKCKWKHVYXLA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.63
Rot. Bonds4

About methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate

methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate (PubChem CID 90033625) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate
PubChem CID90033625
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate
SMILESCOCc1ncc(-c2cc(C(=O)OC)c(C)cc2C)[nH]1
InChIInChI=1S/C15H18N2O3/c1-9-5-10(2)12(15(18)20-4)6-11(9)13-7-16-14(17-13)8-19-3/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyWWUKCKWKHVYXLA-UHFFFAOYSA-N
XLogP2.63
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate with MolForge

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Related Compounds

5-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]-2,4-dimethylbenzoic acid;methane;methyl 5-[2-(methoxymethyl)-5-methyl-1H-imidazol-4-yl]-2,4-dimethylbenzoate
CID 158830066
methyl 3-[2-(2-cyclopropylethyl)-1H-imidazol-5-yl]-4-methylbenzoate
CID 123490421
5-(5-methoxycarbonyl-2,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117465698
2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride
CID 155943279
methyl 6-acetyl-4-methylpyridine-3-carboxylate
CID 178165335
2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile
CID 116880034
N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 62795802
methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
CID 116880265
methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate
CID 116880350
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate
CID 117297589

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate?
The IUPAC name of methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate (CID 90033625) is methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate.
What is the SMILES notation for methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate?
The canonical SMILES for methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate is COCc1ncc(-c2cc(C(=O)OC)c(C)cc2C)[nH]1.
What is the InChIKey of methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate?
The InChIKey is WWUKCKWKHVYXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-5-10(2)12(15(18)20-4)6-11(9)13-7-16-14(17-13)8-19-3/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate?
methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate has a molecular weight of 274.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate is sourced from PubChem (CID 90033625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).