1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine

C71H121N13O3 — CID 159493605

About 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine

1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine (PubChem CID 159493605) has the molecular formula C71H121N13O3 and a molecular weight of 1204.84 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine.

Molecular Properties

• Compound Name: 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine
• PubChem CID: 159493605
• Molecular Formula: C71H121N13O3
• Molecular Weight: 1204.84 g/mol
• Exact Mass: 1203.97
• IUPAC Name: 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine
• SMILES: CC(C)(C)CCn1ccnc1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ncco1.Cc1coc(CC(C)(C)C)n1.Cc1noc(CC(C)(C)C)n1.Cn1ccnc1CC(C)(C)C.Cn1cnc(CC(C)(C)C)c1.Cn1cncc1CC(C)(C)C
• InChI: InChI=1S/C10H15N.4C9H16N2.C9H15NO.C8H14N2O.C8H13NO/c1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)5-8-6-11(4)7-10-8;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)4-6-11-7-5-10-8-11;1-7-6-11-8(10-7)5-9(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-8(2,3)6-7-9-4-5-10-7/h4-6,8H,7H2,1-3H3;2*6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;5,7-8H,4,6H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;4-5H,6H2,1-3H3
• InChIKey: LYMQMERTDNZZET-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 175.15 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1204.84
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine?

The IUPAC name of 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine (CID 159493605) is 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine.

What is the SMILES notation for 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine?

The canonical SMILES for 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine is CC(C)(C)CCn1ccnc1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ncco1.Cc1coc(CC(C)(C)C)n1.Cc1noc(CC(C)(C)C)n1.Cn1ccnc1CC(C)(C)C.Cn1cnc(CC(C)(C)C)c1.Cn1cncc1CC(C)(C)C.

What is the InChIKey of 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine?

The InChIKey is LYMQMERTDNZZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.4C9H16N2.C9H15NO.C8H14N2O.C8H13NO/c1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)5-8-6-11(4)7-10-8;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)7-8-10-5-6-11(8)4;1-9(2,3)4-6-11-7-5-10-8-11;1-7-6-11-8(10-7)5-9(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-8(2,3)6-7-9-4-5-10-7/h4-6,8H,7H2,1-3H3;2*6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;5,7-8H,4,6H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;4-5H,6H2,1-3H3.

What are the key properties of 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine?

1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine has a molecular weight of 1204.84 g/mol, XLogP of 17.82, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 159493605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).