3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole

C17H24N6O — CID 56917818

IUPAC3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCCCCc1ncc(-c2nccn2Cc2noc(CC(C)C)n2)[nH]1
InChIInChI=1S/C17H24N6O/c1-4-5-6-14-19-10-13(20-14)17-18-7-8-23(17)11-15-21-16(24-22-15)9-12(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyNYBXLPGYBRUUKO-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.25
Rot. Bonds8

About 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole

3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole (PubChem CID 56917818) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
PubChem CID56917818
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
SMILESCCCCc1ncc(-c2nccn2Cc2noc(CC(C)C)n2)[nH]1
InChIInChI=1S/C17H24N6O/c1-4-5-6-14-19-10-13(20-14)17-18-7-8-23(17)11-15-21-16(24-22-15)9-12(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyNYBXLPGYBRUUKO-UHFFFAOYSA-N
XLogP3.25
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole (CID 56917818) is 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole is CCCCc1ncc(-c2nccn2Cc2noc(CC(C)C)n2)[nH]1.
What is the InChIKey of 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
The InChIKey is NYBXLPGYBRUUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-4-5-6-14-19-10-13(20-14)17-18-7-8-23(17)11-15-21-16(24-22-15)9-12(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,20).
What are the key properties of 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole?
3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole has a molecular weight of 328.42 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56917818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).