1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole

C16H14F2N2O3S — CID 55733438

IUPAC1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
SMILESCS(=O)(=O)c1cccc(OCc2nc3ccccc3n2C(F)F)c1
InChIInChI=1S/C16H14F2N2O3S/c1-24(21,22)12-6-4-5-11(9-12)23-10-15-19-13-7-2-3-8-14(13)20(15)16(17)18/h2-9,16H,10H2,1H3
InChIKeyXCCOZMAWILDJGE-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.41
Rot. Bonds5

About 1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole

1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole (PubChem CID 55733438) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
PubChem CID55733438
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
SMILESCS(=O)(=O)c1cccc(OCc2nc3ccccc3n2C(F)F)c1
InChIInChI=1S/C16H14F2N2O3S/c1-24(21,22)12-6-4-5-11(9-12)23-10-15-19-13-7-2-3-8-14(13)20(15)16(17)18/h2-9,16H,10H2,1H3
InChIKeyXCCOZMAWILDJGE-UHFFFAOYSA-N
XLogP3.41
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
CID 55732984
3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one
CID 16999333
1-(difluoromethyl)-2-[(5-methyl-2-nitrophenoxy)methyl]benzimidazole
CID 24630067
2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole
CID 16625202
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-fluoro-5-sulfamoylbenzoate
CID 18271109
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide
CID 51127653
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
CID 16625572
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16624937
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole (CID 55733438) is 1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole is CS(=O)(=O)c1cccc(OCc2nc3ccccc3n2C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole?
The InChIKey is XCCOZMAWILDJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c1-24(21,22)12-6-4-5-11(9-12)23-10-15-19-13-7-2-3-8-14(13)20(15)16(17)18/h2-9,16H,10H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole?
1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole has a molecular weight of 352.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 55733438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).