2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole

C13H24N2O4S — CID 141119885

IUPAC2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole
SMILESCCOCc1nccn1CC(C)(C)OCCS(C)(=O)=O
InChIInChI=1S/C13H24N2O4S/c1-5-18-10-12-14-6-7-15(12)11-13(2,3)19-8-9-20(4,16)17/h6-7H,5,8-11H2,1-4H3
InChIKeyNAJPHLBUHHLBFI-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.26
Rot. Bonds9

About 2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole

2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole (PubChem CID 141119885) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole
PubChem CID141119885
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole
SMILESCCOCc1nccn1CC(C)(C)OCCS(C)(=O)=O
InChIInChI=1S/C13H24N2O4S/c1-5-18-10-12-14-6-7-15(12)11-13(2,3)19-8-9-20(4,16)17/h6-7H,5,8-11H2,1-4H3
InChIKeyNAJPHLBUHHLBFI-UHFFFAOYSA-N
XLogP1.26
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-azidoethyl)-2-(ethoxymethyl)imidazole
CID 90813070
1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine
CID 58917318
3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine
CID 106938283
2-[(1-ethylimidazol-2-yl)methoxy]but-3-ene-2-sulfonic acid
CID 175435591
1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106583274
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole
CID 143306337
N-[(1-ethylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62350841
N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole
CID 167960468
2-(chloromethyl)-1-(ethoxymethyl)imidazole
CID 65369655
4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 78990443

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole?
The IUPAC name of 2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole (CID 141119885) is 2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole.
What is the SMILES notation for 2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole?
The canonical SMILES for 2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole is CCOCc1nccn1CC(C)(C)OCCS(C)(=O)=O.
What is the InChIKey of 2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole?
The InChIKey is NAJPHLBUHHLBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-5-18-10-12-14-6-7-15(12)11-13(2,3)19-8-9-20(4,16)17/h6-7H,5,8-11H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole?
2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole has a molecular weight of 304.41 g/mol, XLogP of 1.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole is sourced from PubChem (CID 141119885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).