1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C12H12FN3O3S — CID 168714699

IUPAC1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCn1c(N2CC(S(=O)(=O)F)CC2=O)nc2ccccc21
InChIInChI=1S/C12H12FN3O3S/c1-15-10-5-3-2-4-9(10)14-12(15)16-7-8(6-11(16)17)20(13,18)19/h2-5,8H,6-7H2,1H3
InChIKeyRMJBADVXQIXUMQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.98
Rot. Bonds2

About 1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714699) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714699
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCn1c(N2CC(S(=O)(=O)F)CC2=O)nc2ccccc21
InChIInChI=1S/C12H12FN3O3S/c1-15-10-5-3-2-4-9(10)14-12(15)16-7-8(6-11(16)17)20(13,18)19/h2-5,8H,6-7H2,1H3
InChIKeyRMJBADVXQIXUMQ-UHFFFAOYSA-N
XLogP0.98
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676295
1-(1-methylbenzimidazol-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670786
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716070
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715472
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride
CID 168716040
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
CID 122270125
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714947

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714699) is 1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cn1c(N2CC(S(=O)(=O)F)CC2=O)nc2ccccc21.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is RMJBADVXQIXUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-15-10-5-3-2-4-9(10)14-12(15)16-7-8(6-11(16)17)20(13,18)19/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 297.31 g/mol, XLogP of 0.98, 2 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-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).