2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine

C73H93N17O — CID 161179797

About 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine (PubChem CID 161179797) has the molecular formula C73H93N17O and a molecular weight of 1224.66 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine
• PubChem CID: 161179797
• Molecular Formula: C73H93N17O
• Molecular Weight: 1224.66 g/mol
• Exact Mass: 1223.77
• IUPAC Name: 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine
• SMILES: CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cn2ncccc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2ncccc2[nH]1
• InChI: InChI=1S/2C11H14N2.C11H13NO.4C10H13N3/c1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;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;1-10(2,3)8-7-13-9(12-8)5-4-6-11-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13)
• InChIKey: USHIKXXZCIYDFJ-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 215.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1224.66
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine (CID 161179797) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine is CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cn2ncccc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2ncccc2[nH]1.

What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine?

The InChIKey is USHIKXXZCIYDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14N2.C11H13NO.4C10H13N3/c1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;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;1-10(2,3)8-7-13-9(12-8)5-4-6-11-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13).

What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine?

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine has a molecular weight of 1224.66 g/mol, XLogP of 17.18, 0 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzoxazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 161179797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).