1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one

C11H7F3N4OS — CID 121416032

IUPAC1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2nnc(C(F)F)s2)c2ccc(F)cc21
InChIInChI=1S/C11H7F3N4OS/c1-17-7-4-5(12)2-3-6(7)18(11(17)19)10-16-15-9(20-10)8(13)14/h2-4,8H,1H3
InChIKeyIDADVNOGLUTGQJ-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.26
Rot. Bonds2

About 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one

1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one (PubChem CID 121416032) has the molecular formula C11H7F3N4OS and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one
PubChem CID121416032
Molecular FormulaC11H7F3N4OS
Molecular Weight300.27 g/mol
Exact Mass300.03
IUPAC Name1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2nnc(C(F)F)s2)c2ccc(F)cc21
InChIInChI=1S/C11H7F3N4OS/c1-17-7-4-5(12)2-3-6(7)18(11(17)19)10-16-15-9(20-10)8(13)14/h2-4,8H,1H3
InChIKeyIDADVNOGLUTGQJ-UHFFFAOYSA-N
XLogP2.26
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one
CID 110491160
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[3-(dimethylamino)propyl]-5-[[1-(fluoromethyl)cyclopropyl]methylsulfonyl]benzimidazol-2-one
CID 159537159
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-2-oxo-1H-benzimidazole-5-sulfonamide
CID 121431673
5-fluoro-1,3-dimethylbenzimidazol-2-imine
CID 162722591
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 35141963
5-fluoro-3-isocyanato-1,2-dimethylindole
CID 83916312
2-[(5-fluoro-3-methyl-2-oxobenzimidazol-1-yl)methyl]benzonitrile
CID 141343202
5-fluoro-2-iodo-1-methylbenzimidazole
CID 68858262
1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581439
6-fluoro-1,4-dimethylquinolin-2-one
CID 90037108
3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione
CID 56697661
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one (CID 121416032) is 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one is Cn1c(=O)n(-c2nnc(C(F)F)s2)c2ccc(F)cc21.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one?
The InChIKey is IDADVNOGLUTGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4OS/c1-17-7-4-5(12)2-3-6(7)18(11(17)19)10-16-15-9(20-10)8(13)14/h2-4,8H,1H3.
What are the key properties of 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one?
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one has a molecular weight of 300.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-fluoro-3-methylbenzimidazol-2-one is sourced from PubChem (CID 121416032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).