5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole

C10H9ClF2N2O2S — CID 12993845

IUPAC5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole
SMILESCc1nc2cc(S(=O)(=O)C(F)(F)Cl)ccc2n1C
InChIInChI=1S/C10H9ClF2N2O2S/c1-6-14-8-5-7(3-4-9(8)15(6)2)18(16,17)10(11,12)13/h3-5H,1-2H3
InChIKeyGPYJWYQTJLTBQM-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.44
Rot. Bonds2

About 5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole

5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole (PubChem CID 12993845) has the molecular formula C10H9ClF2N2O2S and a molecular weight of 294.71 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole
PubChem CID12993845
Molecular FormulaC10H9ClF2N2O2S
Molecular Weight294.71 g/mol
Exact Mass294.00
IUPAC Name5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole
SMILESCc1nc2cc(S(=O)(=O)C(F)(F)Cl)ccc2n1C
InChIInChI=1S/C10H9ClF2N2O2S/c1-6-14-8-5-7(3-4-9(8)15(6)2)18(16,17)10(11,12)13/h3-5H,1-2H3
InChIKeyGPYJWYQTJLTBQM-UHFFFAOYSA-N
XLogP2.44
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole
CID 110760387
N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
CID 110760432
1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole
CID 110760379
1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 110760390
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760475
1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
CID 110760445
N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760465
1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110760434
1,2-dimethylbenzimidazole-5-thiol
CID 83529809
3-(1,2-dimethylbenzimidazol-5-yl)-3,3-difluoropropanoic acid
CID 116838405
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760456
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
CID 110760413

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole?
The IUPAC name of 5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole (CID 12993845) is 5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole.
What is the SMILES notation for 5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole?
The canonical SMILES for 5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole is Cc1nc2cc(S(=O)(=O)C(F)(F)Cl)ccc2n1C.
What is the InChIKey of 5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole?
The InChIKey is GPYJWYQTJLTBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N2O2S/c1-6-14-8-5-7(3-4-9(8)15(6)2)18(16,17)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole?
5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole has a molecular weight of 294.71 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole is sourced from PubChem (CID 12993845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).