[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C13H14FN3O3S — CID 168676295

IUPAC[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1c(N2CC(CS(=O)(=O)F)CC2=O)nc2ccccc21
InChIInChI=1S/C13H14FN3O3S/c1-16-11-5-3-2-4-10(11)15-13(16)17-7-9(6-12(17)18)8-21(14,19)20/h2-5,9H,6-8H2,1H3
InChIKeySKQZPERKPCILRD-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.23
Rot. Bonds3

About [1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676295) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is [1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676295
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC Name[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1c(N2CC(CS(=O)(=O)F)CC2=O)nc2ccccc21
InChIInChI=1S/C13H14FN3O3S/c1-16-11-5-3-2-4-10(11)15-13(16)17-7-9(6-12(17)18)8-21(14,19)20/h2-5,9H,6-8H2,1H3
InChIKeySKQZPERKPCILRD-UHFFFAOYSA-N
XLogP1.23
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670786
1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714699
[1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677843
(5-oxo-1-quinolin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677584
[1-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676296
[1-(6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676206
[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677261
[1-(2-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675118
[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675834
[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676551
[1-(1-methylindazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676311
[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676288

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676295) is [1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cn1c(N2CC(CS(=O)(=O)F)CC2=O)nc2ccccc21.
What is the InChIKey of [1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is SKQZPERKPCILRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-16-11-5-3-2-4-10(11)15-13(16)17-7-9(6-12(17)18)8-21(14,19)20/h2-5,9H,6-8H2,1H3.
What are the key properties of [1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 311.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).