1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

C151H315N20O4ReS4- — CID 158243754

About 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 158243754) has the molecular formula C151H315N20O4ReS4- and a molecular weight of 2789.79 g/mol. Its IUPAC name is 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 158243754
• Molecular Formula: C151H315N20O4ReS4-
• Molecular Weight: 2789.79 g/mol
• Exact Mass: 2788.35
• IUPAC Name: 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• SMILES: C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NC=NC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.[CH3-].[Re].c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1
• InChI: InChI=1S/C8H13N.2C7H12N2.C6H11N3.C5H6.2C4H5N.C4H4O.C4H4S.13C4H10.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S.15C2H6.CH3.Re/c1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6(2,3)9-5-7-4-8-9;5*1-2-4-5-3-1;13*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;15*1-2;;/h4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;1-4H,5H2;1,3-4H,2H2;1-3H,4H2;2*1-4H;13*4H,1-3H3;1,3H,2H2;4*1-3H;2*1-2H;15*1-2H3;1H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;-1
• InChIKey: XFVGJVCKMYRCIQ-UHFFFAOYSA-N
• XLogP: 54.48
• TPSA: 276.40 Ų
• H-Bond Acceptors: 28
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2789.79
LogP ≤ 5	54.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The IUPAC name of 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (CID 158243754) is 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

What is the SMILES notation for 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The canonical SMILES for 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NC=NC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.[CH3-].[Re].c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.

What is the InChIKey of 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The InChIKey is XFVGJVCKMYRCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.2C7H12N2.C6H11N3.C5H6.2C4H5N.C4H4O.C4H4S.13C4H10.C3H4N2.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S.15C2H6.CH3.Re/c1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6(2,3)9-5-7-4-8-9;5*1-2-4-5-3-1;13*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;15*1-2;;/h4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;1-4H,5H2;1,3-4H,2H2;1-3H,4H2;2*1-4H;13*4H,1-3H3;1,3H,2H2;4*1-3H;2*1-2H;15*1-2H3;1H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;-1;.

What are the key properties of 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 2789.79 g/mol, XLogP of 54.48, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;carbanide;cyclopenta-1,3-diene;ethane;furan;4H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;rhenium;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158243754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).