bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine

C176H339N21O3S3 — CID 159984791

About bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine

bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine (PubChem CID 159984791) has the molecular formula C176H339N21O3S3 and a molecular weight of 2893.99 g/mol. Its IUPAC name is bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine
• PubChem CID: 159984791
• Molecular Formula: C176H339N21O3S3
• Molecular Weight: 2893.99 g/mol
• Exact Mass: 2891.62
• IUPAC Name: bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine
• SMILES: C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(C(C)C)CC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cnc(C(C)C)nc1.Cc1nc(C(C)(C)C)[nH]c1C.Cc1nc(C(C)(C)C)[nH]c1C.Cc1nc(C(C)(C)C)c(C)[nH]1.Cc1nc(C(C)(C)C)c(C)o1.Cc1nc(C(C)(C)C)c(C)s1.Cc1nc(C(C)(C)C)oc1C.Cc1nc(C(C)(C)C)oc1C.Cc1nc(C(C)(C)C)sc1C.Cc1nc(C(C)(C)C)sc1C.Cc1ncc(C(C)C)cn1
• InChI: InChI=1S/C10H20.C10H14.3C9H16N2.3C9H15NO.3C9H15NS.C9H19N.2C9H13N.C8H18N2.2C8H12N2.8C2H6.8CH4/c2*1-8(2)10-6-4-9(3)5-7-10;1-6-8(9(3,4)5)11-7(2)10-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-6-8(9(3,4)5)10-7(2)11-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-6-8(9(3,4)5)10-7(2)11-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-9-4-7(3)5-10-8;8*1-2;;;;;;;;/h8-10H,4-7H2,1-3H3;4-8H,1-3H3;3*1-5H3,(H,10,11);6*1-5H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;2*4-6H,1-3H3;8*1-2H3;8*1H4
• InChIKey: OGEUGFPOKLECKS-UHFFFAOYSA-N
• XLogP: 55.27
• TPSA: 289.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2893.99
LogP ≤ 5	55.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine?

The IUPAC name of bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine (CID 159984791) is bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine.

What is the SMILES notation for bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine?

The canonical SMILES for bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine is C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(C(C)C)CC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cnc(C(C)C)nc1.Cc1nc(C(C)(C)C)[nH]c1C.Cc1nc(C(C)(C)C)[nH]c1C.Cc1nc(C(C)(C)C)c(C)[nH]1.Cc1nc(C(C)(C)C)c(C)o1.Cc1nc(C(C)(C)C)c(C)s1.Cc1nc(C(C)(C)C)oc1C.Cc1nc(C(C)(C)C)oc1C.Cc1nc(C(C)(C)C)sc1C.Cc1nc(C(C)(C)C)sc1C.Cc1ncc(C(C)C)cn1.

What is the InChIKey of bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine?

The InChIKey is OGEUGFPOKLECKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C10H14.3C9H16N2.3C9H15NO.3C9H15NS.C9H19N.2C9H13N.C8H18N2.2C8H12N2.8C2H6.8CH4/c2*1-8(2)10-6-4-9(3)5-7-10;1-6-8(9(3,4)5)11-7(2)10-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-6-8(9(3,4)5)10-7(2)11-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-6-8(9(3,4)5)10-7(2)11-6;2*1-6-7(2)11-8(10-6)9(3,4)5;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-9-4-7(3)5-10-8;8*1-2;;;;;;;;/h8-10H,4-7H2,1-3H3;4-8H,1-3H3;3*1-5H3,(H,10,11);6*1-5H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;2*4-6H,1-3H3;8*1-2H3;8*1H4.

What are the key properties of bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine?

bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 2893.99 g/mol, XLogP of 55.27, 8 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 159984791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).