1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole

C10H14N4O2S — CID 56889384

IUPAC1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
SMILESCn1ccnc1-c1nccn1CCS(C)(=O)=O
InChIInChI=1S/C10H14N4O2S/c1-13-5-3-11-9(13)10-12-4-6-14(10)7-8-17(2,15)16/h3-6H,7-8H2,1-2H3
InChIKeyUDOPHWYMPLMJPX-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.33
Rot. Bonds4

About 1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole

1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole (PubChem CID 56889384) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
PubChem CID56889384
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
SMILESCn1ccnc1-c1nccn1CCS(C)(=O)=O
InChIInChI=1S/C10H14N4O2S/c1-13-5-3-11-9(13)10-12-4-6-14(10)7-8-17(2,15)16/h3-6H,7-8H2,1-2H3
InChIKeyUDOPHWYMPLMJPX-UHFFFAOYSA-N
XLogP0.33
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole?
The IUPAC name of 1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole (CID 56889384) is 1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole.
What is the SMILES notation for 1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole?
The canonical SMILES for 1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole is Cn1ccnc1-c1nccn1CCS(C)(=O)=O.
What is the InChIKey of 1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole?
The InChIKey is UDOPHWYMPLMJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-13-5-3-11-9(13)10-12-4-6-14(10)7-8-17(2,15)16/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole?
1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole has a molecular weight of 254.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole is sourced from PubChem (CID 56889384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).