6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole

C203H307N45S2 — CID 160559457

About 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole

6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole (PubChem CID 160559457) has the molecular formula C203H307N45S2 and a molecular weight of 3442.14 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole
• PubChem CID: 160559457
• Molecular Formula: C203H307N45S2
• Molecular Weight: 3442.14 g/mol
• Exact Mass: 3439.48
• IUPAC Name: 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole
• SMILES: CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nccs1.CC(C)(C)n1[nH]nnc1=S.CC(C)(C)n1cccc1.CC(C)(C)n1cncn1.Cc1ccc(C(C)(C)C)cn1.Cc1nc(C(C)(C)C)cn1C.Cc1nccn1C(C)(C)C.Cn1ccc(C(C)(C)C)c1.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1
• InChI: InChI=1S/5C11H14N2.2C10H13N3.C10H15N.C9H16N2.2C9H15N.C9H13N.C8H14N2.C8H12N2.3C8H14N2.2C8H12N2.C8H13N.C7H11NS.C6H11N3.C5H10N4S/c1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-8-5-6-9(7-11-8)10(2,3)4;1-7-10-8(6-11(7)5)9(2,3)4;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-4-9-6-10-5-7;2*1-8(2,3)7-9-5-6-10(7)4;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-5(2,3)9-4(10)6-7-8-9/h2*4-7H,1-3H3,(H,12,13);3*4-8H,1-3H3;4-6H,1-3H3,(H,12,13);4-7H,1-3H3;5-7H,1-4H3;6H,1-5H3;2*5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;3*5-6H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-5H,1-3H3;1-3H3,(H,6,8,10)
• InChIKey: QZCPSGJNDGHRHX-UHFFFAOYSA-N
• XLogP: 48.87
• TPSA: 478.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3442.14
LogP ≤ 5	48.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole?

The IUPAC name of 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole (CID 160559457) is 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole.

What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole?

The canonical SMILES for 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole is CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nccs1.CC(C)(C)n1[nH]nnc1=S.CC(C)(C)n1cccc1.CC(C)(C)n1cncn1.Cc1ccc(C(C)(C)C)cn1.Cc1nc(C(C)(C)C)cn1C.Cc1nccn1C(C)(C)C.Cn1ccc(C(C)(C)C)c1.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.

What is the InChIKey of 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole?

The InChIKey is QZCPSGJNDGHRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/5C11H14N2.2C10H13N3.C10H15N.C9H16N2.2C9H15N.C9H13N.C8H14N2.C8H12N2.3C8H14N2.2C8H12N2.C8H13N.C7H11NS.C6H11N3.C5H10N4S/c1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-8-5-6-9(7-11-8)10(2,3)4;1-7-10-8(6-11(7)5)9(2,3)4;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-4-9-6-10-5-7;2*1-8(2,3)7-9-5-6-10(7)4;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-5(2,3)9-4(10)6-7-8-9/h2*4-7H,1-3H3,(H,12,13);3*4-8H,1-3H3;4-6H,1-3H3,(H,12,13);4-7H,1-3H3;5-7H,1-4H3;6H,1-5H3;2*5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;3*5-6H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-5H,1-3H3;1-3H3,(H,6,8,10).

What are the key properties of 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole?

6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole has a molecular weight of 3442.14 g/mol, XLogP of 48.87, 0 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;bis(6-tert-butylimidazo[1,2-a]pyridine);2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole is sourced from PubChem (CID 160559457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).