2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole

C89H158N28 — CID 157424465

About 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole

2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole (PubChem CID 157424465) has the molecular formula C89H158N28 and a molecular weight of 1620.44 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole
• PubChem CID: 157424465
• Molecular Formula: C89H158N28
• Molecular Weight: 1620.44 g/mol
• Exact Mass: 1619.32
• IUPAC Name: 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole
• SMILES: CC(C)(C)C1=CCN=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCCN1.CC(C)(C)C1CN=CN1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nn[nH]n1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1
• InChI: InChI=1S/C8H13N.C7H14N2.2C7H12N2.C7H14N2.6C7H12N2.C6H11N3.C5H10N4/c1-8(2,3)7-4-5-9-6-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;4*1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-7-4-8-9;1-5(2,3)4-6-8-9-7-4/h4-6,9H,1-3H3;5-6H,4H2,1-3H3,(H,8,9);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H2,1-3H3,(H,8,9);4H,5H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;1-3H3,(H,6,7,8,9)
• InChIKey: BPUJRYGBADMEIC-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 349.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1620.44
LogP ≤ 5	19.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole?

The IUPAC name of 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole (CID 157424465) is 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole.

What is the SMILES notation for 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole?

The canonical SMILES for 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole is CC(C)(C)C1=CCN=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCCN1.CC(C)(C)C1CN=CN1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nn[nH]n1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.

What is the InChIKey of 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole?

The InChIKey is BPUJRYGBADMEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C7H14N2.2C7H12N2.C7H14N2.6C7H12N2.C6H11N3.C5H10N4/c1-8(2,3)7-4-5-9-6-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;4*1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-7-4-8-9;1-5(2,3)4-6-8-9-7-4/h4-6,9H,1-3H3;5-6H,4H2,1-3H3,(H,8,9);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H2,1-3H3,(H,8,9);4H,5H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;1-3H3,(H,6,7,8,9).

What are the key properties of 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole?

2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole has a molecular weight of 1620.44 g/mol, XLogP of 19.91, 0 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;1-tert-butyl-1,2,4-triazole is sourced from PubChem (CID 157424465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).