4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one

C11H9FN4OS — CID 121415986

IUPAC4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one
SMILESCc1nsc(-n2c(=O)n(C)c3c(F)cccc32)n1
InChIInChI=1S/C11H9FN4OS/c1-6-13-10(18-14-6)16-8-5-3-4-7(12)9(8)15(2)11(16)17/h3-5H,1-2H3
InChIKeyQTXHLMKDZCVWSX-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.63
Rot. Bonds1

About 4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one

4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one (PubChem CID 121415986) has the molecular formula C11H9FN4OS and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one.

Molecular Properties

Compound Name4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one
PubChem CID121415986
Molecular FormulaC11H9FN4OS
Molecular Weight264.29 g/mol
Exact Mass264.05
IUPAC Name4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one
SMILESCc1nsc(-n2c(=O)n(C)c3c(F)cccc32)n1
InChIInChI=1S/C11H9FN4OS/c1-6-13-10(18-14-6)16-8-5-3-4-7(12)9(8)15(2)11(16)17/h3-5H,1-2H3
InChIKeyQTXHLMKDZCVWSX-UHFFFAOYSA-N
XLogP1.63
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one?
The IUPAC name of 4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one (CID 121415986) is 4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one.
What is the SMILES notation for 4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one?
The canonical SMILES for 4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one is Cc1nsc(-n2c(=O)n(C)c3c(F)cccc32)n1.
What is the InChIKey of 4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one?
The InChIKey is QTXHLMKDZCVWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4OS/c1-6-13-10(18-14-6)16-8-5-3-4-7(12)9(8)15(2)11(16)17/h3-5H,1-2H3.
What are the key properties of 4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one?
4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one has a molecular weight of 264.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)benzimidazol-2-one is sourced from PubChem (CID 121415986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).