1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole

C11H12F2N2O2S2 — CID 126770786

IUPAC1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole
SMILESO=S(=O)(CCc1cccs1)Cc1nccn1C(F)F
InChIInChI=1S/C11H12F2N2O2S2/c12-11(13)15-5-4-14-10(15)8-19(16,17)7-3-9-2-1-6-18-9/h1-2,4-6,11H,3,7-8H2
InChIKeyYYFFXBGBDNKLBH-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.50
Rot. Bonds6

About 1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole

1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole (PubChem CID 126770786) has the molecular formula C11H12F2N2O2S2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole
PubChem CID126770786
Molecular FormulaC11H12F2N2O2S2
Molecular Weight306.36 g/mol
Exact Mass306.03
IUPAC Name1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole
SMILESO=S(=O)(CCc1cccs1)Cc1nccn1C(F)F
InChIInChI=1S/C11H12F2N2O2S2/c12-11(13)15-5-4-14-10(15)8-19(16,17)7-3-9-2-1-6-18-9/h1-2,4-6,11H,3,7-8H2
InChIKeyYYFFXBGBDNKLBH-UHFFFAOYSA-N
XLogP2.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350505
1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole
CID 84586031
1-(difluoromethyl)-2-thiophen-2-ylimidazole
CID 116621597
(1S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-thiophen-2-ylethanamine
CID 81408360
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673117
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111861613
2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 37309106
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
CID 55235170
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole
CID 113223335

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole?
The IUPAC name of 1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole (CID 126770786) is 1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole?
The canonical SMILES for 1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole is O=S(=O)(CCc1cccs1)Cc1nccn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole?
The InChIKey is YYFFXBGBDNKLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2S2/c12-11(13)15-5-4-14-10(15)8-19(16,17)7-3-9-2-1-6-18-9/h1-2,4-6,11H,3,7-8H2.
What are the key properties of 1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole?
1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole has a molecular weight of 306.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole is sourced from PubChem (CID 126770786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).