1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole

C64H113N13O — CID 157098537

About 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole

1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole (PubChem CID 157098537) has the molecular formula C64H113N13O and a molecular weight of 1080.70 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole.

Molecular Properties

• Compound Name: 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole
• PubChem CID: 157098537
• Molecular Formula: C64H113N13O
• Molecular Weight: 1080.70 g/mol
• Exact Mass: 1079.92
• IUPAC Name: 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole
• SMILES: CC(C)C1=CN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)c1
• InChI: InChI=1S/C10H18N2.C10H17N.3C9H16N2.C9H15NO.C8H15N3/c1-7(2)9-6-11-10(8(3)4)12(9)5;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8/h6-8H,1-5H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3
• InChIKey: AFMLYPNHDDGPRV-UHFFFAOYSA-N
• XLogP: 18.43
• TPSA: 151.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1080.70
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole?

The IUPAC name of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole (CID 157098537) is 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole.

What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole?

The canonical SMILES for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole is CC(C)C1=CN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)c1.

What is the InChIKey of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole?

The InChIKey is AFMLYPNHDDGPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C10H17N.3C9H16N2.C9H15NO.C8H15N3/c1-7(2)9-6-11-10(8(3)4)12(9)5;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8/h6-8H,1-5H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3.

What are the key properties of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole?

1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole has a molecular weight of 1080.70 g/mol, XLogP of 18.43, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;1,4-di(propan-2-yl)triazole;1-methyl-2,5-di(propan-2-yl)imidazole is sourced from PubChem (CID 157098537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).