4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane

C78H110N12O — CID 157150330

About 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane

4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane (PubChem CID 157150330) has the molecular formula C78H110N12O and a molecular weight of 1231.82 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane.

Molecular Properties

• Compound Name: 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane
• PubChem CID: 157150330
• Molecular Formula: C78H110N12O
• Molecular Weight: 1231.82 g/mol
• Exact Mass: 1230.89
• IUPAC Name: 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane
• SMILES: C.C.C=C1NC=CC=C1C(C)(C)C.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cnn2cccnc12.Cc1nc(C(C)(C)C)co1.Cc1ncc(-c2ccccc2)nc1C(C)(C)C.Cc1nnccc1C(C)(C)C
• InChI: InChI=1S/C15H18N2.C13H15N.C11H14N2.C10H13N3.C10H15N.C9H14N2.C8H13NO.2CH4/c1-11-14(15(2,3)4)17-13(10-16-11)12-8-6-5-7-9-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-8-9(10(2,3)4)6-5-7-11-8;1-7-8(9(2,3)4)5-6-10-11-7;1-6-9-7(5-10-6)8(2,3)4;;/h5-10H,1-4H3;4-9H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;5-7,11H,1H2,2-4H3;5-6H,1-4H3;5H,1-4H3;2*1H4
• InChIKey: ALEIQHXMXIGJDQ-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 161.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 1
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1231.82
LogP ≤ 5	20.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane?

The IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane (CID 157150330) is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane.

What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane?

The canonical SMILES for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane is C.C.C=C1NC=CC=C1C(C)(C)C.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cnn2cccnc12.Cc1nc(C(C)(C)C)co1.Cc1ncc(-c2ccccc2)nc1C(C)(C)C.Cc1nnccc1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane?

The InChIKey is ALEIQHXMXIGJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.C13H15N.C11H14N2.C10H13N3.C10H15N.C9H14N2.C8H13NO.2CH4/c1-11-14(15(2,3)4)17-13(10-16-11)12-8-6-5-7-9-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-8-9(10(2,3)4)6-5-7-11-8;1-7-8(9(2,3)4)5-6-10-11-7;1-6-9-7(5-10-6)8(2,3)4;;/h5-10H,1-4H3;4-9H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;5-7,11H,1H2,2-4H3;5-6H,1-4H3;5H,1-4H3;2*1H4.

What are the key properties of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane?

4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane has a molecular weight of 1231.82 g/mol, XLogP of 20.39, 1 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane is sourced from PubChem (CID 157150330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).