methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate

C15H18N2O2 — CID 116880350

IUPACmethyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate
SMILESCOC(=O)c1ncc(-c2c(C)c(C)cc(C)c2C)[nH]1
InChIInChI=1S/C15H18N2O2/c1-8-6-9(2)11(4)13(10(8)3)12-7-16-14(17-12)15(18)19-5/h6-7H,1-5H3,(H,16,17)
InChIKeyFNAGZYQQLQYQGD-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.10
Rot. Bonds2

About methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate

methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate (PubChem CID 116880350) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate
PubChem CID116880350
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate
SMILESCOC(=O)c1ncc(-c2c(C)c(C)cc(C)c2C)[nH]1
InChIInChI=1S/C15H18N2O2/c1-8-6-9(2)11(4)13(10(8)3)12-7-16-14(17-12)15(18)19-5/h6-7H,1-5H3,(H,16,17)
InChIKeyFNAGZYQQLQYQGD-UHFFFAOYSA-N
XLogP3.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880650
methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate
CID 116880373
methyl 5-(1H-pyrrol-3-yl)-1H-imidazole-2-carboxylate
CID 116880364
5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-amine
CID 82284738
methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116880369
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539
methyl 5-cyano-1H-imidazole-2-carboxylate
CID 55253764
methyl 5-(2-methoxy-2-oxoacetyl)-1H-imidazole-2-carboxylate
CID 134910290
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660
methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
CID 116880265
methyl 5-[2-(methoxymethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoate
CID 90033625
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate?
The IUPAC name of methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate (CID 116880350) is methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate.
What is the SMILES notation for methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate?
The canonical SMILES for methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate is COC(=O)c1ncc(-c2c(C)c(C)cc(C)c2C)[nH]1.
What is the InChIKey of methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate?
The InChIKey is FNAGZYQQLQYQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-8-6-9(2)11(4)13(10(8)3)12-7-16-14(17-12)15(18)19-5/h6-7H,1-5H3,(H,16,17).
What are the key properties of methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate?
methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate is sourced from PubChem (CID 116880350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).