2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane

C175H313N35O5 — CID 158350519

About 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane

2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane (PubChem CID 158350519) has the molecular formula C175H313N35O5 and a molecular weight of 2987.67 g/mol. Its IUPAC name is 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane.

Molecular Properties

• Compound Name: 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane
• PubChem CID: 158350519
• Molecular Formula: C175H313N35O5
• Molecular Weight: 2987.67 g/mol
• Exact Mass: 2985.53
• IUPAC Name: 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane
• SMILES: C.C.C.C.C.C.C.C.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=N1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCCN1.CC(C)(C)C1CN=CN1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1
• InChI: InChI=1S/C9H14.5C8H13N.2C8H12O.C7H14N2.2C7H12N2.C7H14N2.6C7H12N2.2C7H11NO.2C6H11N3.C6H10N2O.8CH4/c1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;4*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;4*1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;2*1-6(2,3)5-7-4-8-9-5;;;;;;;;/h4,6-7H,5H2,1-3H3;4-6,9H,1-3H3;2*5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3,(H,8,9);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H2,1-3H3,(H,8,9);4H,5H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3;8*1H4
• InChIKey: GSGHHLOMMAWONC-UHFFFAOYSA-N
• XLogP: 48.13
• TPSA: 506.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2987.67
LogP ≤ 5	48.13
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane?

The IUPAC name of 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane (CID 158350519) is 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane.

What is the SMILES notation for 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane?

The canonical SMILES for 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane is C.C.C.C.C.C.C.C.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=N1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCCN1.CC(C)(C)C1CN=CN1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.

What is the InChIKey of 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane?

The InChIKey is GSGHHLOMMAWONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.5C8H13N.2C8H12O.C7H14N2.2C7H12N2.C7H14N2.6C7H12N2.2C7H11NO.2C6H11N3.C6H10N2O.8CH4/c1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;4*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;4*1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;2*1-6(2,3)5-7-4-8-9-5;;;;;;;;/h4,6-7H,5H2,1-3H3;4-6,9H,1-3H3;2*5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3,(H,8,9);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H2,1-3H3,(H,8,9);4H,5H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3;8*1H4.

What are the key properties of 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane?

2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane has a molecular weight of 2987.67 g/mol, XLogP of 48.13, 0 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;methane is sourced from PubChem (CID 158350519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).