1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole

C166H222N26O6 — CID 158152666

About 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole

1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole (PubChem CID 158152666) has the molecular formula C166H222N26O6 and a molecular weight of 2677.78 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole
• PubChem CID: 158152666
• Molecular Formula: C166H222N26O6
• Molecular Weight: 2677.78 g/mol
• Exact Mass: 2675.79
• IUPAC Name: 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole
• SMILES: CC(C)(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)(C)c1ccc(C(=O)N2CCNCC2)cc1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(C[N+]2([O-])CCOCC2)cc1.CC(C)(C)c1ccc(Cc2ccncc2)cc1.CC(C)(C)c1ccc(Cn2cncn2)cc1.CC(C)(C)c1cccc(-c2nn[nH]n2)c1.Cc1cn(-c2ccc(C(C)(C)C)cc2)cn1.Cc1nccn1-c1ccc(C(C)(C)C)cc1.Cc1nccn1Cc1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C16H19N.C15H22N2O.C15H20N2.C15H23NO2.C15H21NO2.C15H21NO.2C14H18N2.C13H17N3.C12H15N3.2C11H14N4/c1-16(2,3)15-6-4-13(5-7-15)12-14-8-10-17-11-9-14;1-15(2,3)13-6-4-12(5-7-13)14(18)17-10-8-16-9-11-17;1-12-16-9-10-17(12)11-13-5-7-14(8-6-13)15(2,3)4;1-15(2,3)14-6-4-13(5-7-14)12-16(17)8-10-18-11-9-16;1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-15(2,3)13-8-6-12(7-9-13)14(17)16-10-4-5-11-16;1-11-9-16(10-15-11)13-7-5-12(6-8-13)14(2,3)4;1-11-15-9-10-16(11)13-7-5-12(6-8-13)14(2,3)4;1-13(2,3)12-6-4-11(5-7-12)8-16-10-14-9-15-16;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-11(2,3)9-6-4-8(5-7-9)10-12-14-15-13-10;1-11(2,3)9-6-4-5-8(7-9)10-12-14-15-13-10/h4-11H,12H2,1-3H3;4-7,16H,8-11H2,1-3H3;5-10H,11H2,1-4H3;4-7H,8-12H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,4-5,10-11H2,1-3H3;2*5-10H,1-4H3;4-7,9-10H,8H2,1-3H3;4-9H,1-3H3;2*4-7H,1-3H3,(H,12,13,14,15)
• InChIKey: FVHPHHKBFDDDBZ-UHFFFAOYSA-N
• XLogP: 34.52
• TPSA: 351.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2677.78
LogP ≤ 5	34.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole?

The IUPAC name of 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole (CID 158152666) is 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole.

What is the SMILES notation for 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole?

The canonical SMILES for 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole is CC(C)(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)(C)c1ccc(C(=O)N2CCNCC2)cc1.CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(C[N+]2([O-])CCOCC2)cc1.CC(C)(C)c1ccc(Cc2ccncc2)cc1.CC(C)(C)c1ccc(Cn2cncn2)cc1.CC(C)(C)c1cccc(-c2nn[nH]n2)c1.Cc1cn(-c2ccc(C(C)(C)C)cc2)cn1.Cc1nccn1-c1ccc(C(C)(C)C)cc1.Cc1nccn1Cc1ccc(C(C)(C)C)cc1.

What is the InChIKey of 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole?

The InChIKey is FVHPHHKBFDDDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.C15H22N2O.C15H20N2.C15H23NO2.C15H21NO2.C15H21NO.2C14H18N2.C13H17N3.C12H15N3.2C11H14N4/c1-16(2,3)15-6-4-13(5-7-15)12-14-8-10-17-11-9-14;1-15(2,3)13-6-4-12(5-7-13)14(18)17-10-8-16-9-11-17;1-12-16-9-10-17(12)11-13-5-7-14(8-6-13)15(2,3)4;1-15(2,3)14-6-4-13(5-7-14)12-16(17)8-10-18-11-9-16;1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-15(2,3)13-8-6-12(7-9-13)14(17)16-10-4-5-11-16;1-11-9-16(10-15-11)13-7-5-12(6-8-13)14(2,3)4;1-11-15-9-10-16(11)13-7-5-12(6-8-13)14(2,3)4;1-13(2,3)12-6-4-11(5-7-12)8-16-10-14-9-15-16;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-11(2,3)9-6-4-8(5-7-9)10-12-14-15-13-10;1-11(2,3)9-6-4-5-8(7-9)10-12-14-15-13-10/h4-11H,12H2,1-3H3;4-7,16H,8-11H2,1-3H3;5-10H,11H2,1-4H3;4-7H,8-12H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,4-5,10-11H2,1-3H3;2*5-10H,1-4H3;4-7,9-10H,8H2,1-3H3;4-9H,1-3H3;2*4-7H,1-3H3,(H,12,13,14,15).

What are the key properties of 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole?

1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole has a molecular weight of 2677.78 g/mol, XLogP of 34.52, 16 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole is sourced from PubChem (CID 158152666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).