benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane

C78H144N10O2S — CID 158377801

About benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane

benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane (PubChem CID 158377801) has the molecular formula C78H144N10O2S and a molecular weight of 1286.14 g/mol. Its IUPAC name is benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane.

Molecular Properties

• Compound Name: benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane
• PubChem CID: 158377801
• Molecular Formula: C78H144N10O2S
• Molecular Weight: 1286.14 g/mol
• Exact Mass: 1285.12
• IUPAC Name: benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane
• SMILES: C.C.C.C.C.C.C.C.CC(C)(C)C1=CCC=N1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccon1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)C.c1ccccc1
• InChI: InChI=1S/C9H13N.2C8H13N.2C7H12N2.2C7H11NO.C7H11NS.C6H6.C4H10.8CH4/c1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-8-4-5-9-6;1-2-4-6-5-3-1;1-4(2)3;;;;;;;;/h4-7H,1-3H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;3*4-5H,1-3H3;1-6H;4H,1-3H3;8*1H4
• InChIKey: GVKLDHVBPMVBGP-UHFFFAOYSA-N
• XLogP: 25.18
• TPSA: 141.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.14
LogP ≤ 5	25.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane?

The IUPAC name of benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane (CID 158377801) is benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane.

What is the SMILES notation for benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane?

The canonical SMILES for benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane is C.C.C.C.C.C.C.C.CC(C)(C)C1=CCC=N1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccon1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)C.c1ccccc1.

What is the InChIKey of benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane?

The InChIKey is GVKLDHVBPMVBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C8H13N.2C7H12N2.2C7H11NO.C7H11NS.C6H6.C4H10.8CH4/c1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-8-4-5-9-6;1-2-4-6-5-3-1;1-4(2)3;;;;;;;;/h4-7H,1-3H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;3*4-5H,1-3H3;1-6H;4H,1-3H3;8*1H4.

What are the key properties of benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane?

benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane has a molecular weight of 1286.14 g/mol, XLogP of 25.18, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane is sourced from PubChem (CID 158377801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).