5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole

C14H14F2N4O — CID 75481939

IUPAC5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(Cn2cnc3cc(F)c(F)cc32)n1
InChIInChI=1S/C14H14F2N4O/c1-8(2)3-13-18-14(21-19-13)6-20-7-17-11-4-9(15)10(16)5-12(11)20/h4-5,7-8H,3,6H2,1-2H3
InChIKeyNTNWQULINZHBHP-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.94
Rot. Bonds4

About 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole

5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 75481939) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID75481939
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(Cn2cnc3cc(F)c(F)cc32)n1
InChIInChI=1S/C14H14F2N4O/c1-8(2)3-13-18-14(21-19-13)6-20-7-17-11-4-9(15)10(16)5-12(11)20/h4-5,7-8H,3,6H2,1-2H3
InChIKeyNTNWQULINZHBHP-UHFFFAOYSA-N
XLogP2.94
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole (CID 75481939) is 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole is CC(C)Cc1noc(Cn2cnc3cc(F)c(F)cc32)n1.
What is the InChIKey of 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is NTNWQULINZHBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-8(2)3-13-18-14(21-19-13)6-20-7-17-11-4-9(15)10(16)5-12(11)20/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole?
5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 292.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75481939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).