bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)

C136H248N40 — CID 158922772

About bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)

bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) (PubChem CID 158922772) has the molecular formula C136H248N40 and a molecular weight of 2443.76 g/mol. Its IUPAC name is bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole).

Molecular Properties

• Compound Name: bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
• PubChem CID: 158922772
• Molecular Formula: C136H248N40
• Molecular Weight: 2443.76 g/mol
• Exact Mass: 2442.06
• IUPAC Name: bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
• SMILES: CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1
• InChI: InChI=1S/2C10H17N.6C9H16N2.6C8H15N3.2C7H14N4/c2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-9-5-11(10-8)7(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8;2*1-6(2)8-5-9-11(10-8)7(3)4;2*1-5(2)7-8-10-11(9-7)6(3)4/h2*5-9H,1-4H3;6*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3
• InChIKey: JIAXKAJYVHIEPD-UHFFFAOYSA-N
• XLogP: 36.56
• TPSA: 388.24 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2443.76
LogP ≤ 5	36.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) (CID 158922772) is bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole).

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

The canonical SMILES for bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) is CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.

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

The InChIKey is JIAXKAJYVHIEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17N.6C9H16N2.6C8H15N3.2C7H14N4/c2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;2*1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-9-5-11(10-8)7(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8;2*1-6(2)8-5-9-11(10-8)7(3)4;2*1-5(2)7-8-10-11(9-7)6(3)4/h2*5-9H,1-4H3;6*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3.

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

bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) has a molecular weight of 2443.76 g/mol, XLogP of 36.56, 32 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,5-di(propan-2-yl)tetrazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole) is sourced from PubChem (CID 158922772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).