6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one

C12H11FN4OS — CID 110491160

IUPAC6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one
SMILESCC(C)c1nnc(-n2c(=O)[nH]c3cc(F)ccc32)s1
InChIInChI=1S/C12H11FN4OS/c1-6(2)10-15-16-12(19-10)17-9-4-3-7(13)5-8(9)14-11(17)18/h3-6H,1-2H3,(H,14,18)
InChIKeyCFQVCWWXZMKOND-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.43
Rot. Bonds2

About 6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one

6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one (PubChem CID 110491160) has the molecular formula C12H11FN4OS and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one
PubChem CID110491160
Molecular FormulaC12H11FN4OS
Molecular Weight278.31 g/mol
Exact Mass278.06
IUPAC Name6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one
SMILESCC(C)c1nnc(-n2c(=O)[nH]c3cc(F)ccc32)s1
InChIInChI=1S/C12H11FN4OS/c1-6(2)10-15-16-12(19-10)17-9-4-3-7(13)5-8(9)14-11(17)18/h3-6H,1-2H3,(H,14,18)
InChIKeyCFQVCWWXZMKOND-UHFFFAOYSA-N
XLogP2.43
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one (CID 110491160) is 6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one is CC(C)c1nnc(-n2c(=O)[nH]c3cc(F)ccc32)s1.
What is the InChIKey of 6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one?
The InChIKey is CFQVCWWXZMKOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4OS/c1-6(2)10-15-16-12(19-10)17-9-4-3-7(13)5-8(9)14-11(17)18/h3-6H,1-2H3,(H,14,18).
What are the key properties of 6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one?
6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110491160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).