1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole

C14H18N2O3S — CID 86989667

IUPAC1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole
SMILESCOCCS(=O)(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C14H18N2O3S/c1-19-9-10-20(17,18)12-14-15-7-8-16(14)11-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyPZWOXXKBFKOWAD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.49
Rot. Bonds7

About 1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole

1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole (PubChem CID 86989667) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole.

Molecular Properties

Compound Name1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole
PubChem CID86989667
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole
SMILESCOCCS(=O)(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C14H18N2O3S/c1-19-9-10-20(17,18)12-14-15-7-8-16(14)11-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyPZWOXXKBFKOWAD-UHFFFAOYSA-N
XLogP1.49
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-[(2-methylphenyl)methylsulfonylmethyl]imidazole
CID 86989671
3-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(4-fluorophenyl)propanamide
CID 78877050
4-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 78877702
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-fluorophenyl)acetamide
CID 78876781
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 78876975
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942587
[2-(1-benzylimidazol-2-yl)-1-phosphonoethyl]phosphonic acid
CID 23043549
2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole?
The IUPAC name of 1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole (CID 86989667) is 1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole.
What is the SMILES notation for 1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole?
The canonical SMILES for 1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole is COCCS(=O)(=O)Cc1nccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole?
The InChIKey is PZWOXXKBFKOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-9-10-20(17,18)12-14-15-7-8-16(14)11-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3.
What are the key properties of 1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole?
1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole has a molecular weight of 294.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole is sourced from PubChem (CID 86989667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).