3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole

C11H8F2N4O — CID 167771887

IUPAC3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCn1cnc2cc(-c3nc(C(F)F)no3)ccc21
InChIInChI=1S/C11H8F2N4O/c1-17-5-14-7-4-6(2-3-8(7)17)11-15-10(9(12)13)16-18-11/h2-5,9H,1H3
InChIKeyPJHLPNXWHYMAHJ-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.56
Rot. Bonds2

About 3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole

3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 167771887) has the molecular formula C11H8F2N4O and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID167771887
Molecular FormulaC11H8F2N4O
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCn1cnc2cc(-c3nc(C(F)F)no3)ccc21
InChIInChI=1S/C11H8F2N4O/c1-17-5-14-7-4-6(2-3-8(7)17)11-15-10(9(12)13)16-18-11/h2-5,9H,1H3
InChIKeyPJHLPNXWHYMAHJ-UHFFFAOYSA-N
XLogP2.56
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 167771887) is 3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole is Cn1cnc2cc(-c3nc(C(F)F)no3)ccc21.
What is the InChIKey of 3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is PJHLPNXWHYMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O/c1-17-5-14-7-4-6(2-3-8(7)17)11-15-10(9(12)13)16-18-11/h2-5,9H,1H3.
What are the key properties of 3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole?
3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 250.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167771887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).