benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

C250H524N42O6S4 — CID 159009816

About benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 159009816) has the molecular formula C250H524N42O6S4 and a molecular weight of 4343.50 g/mol. Its IUPAC name is benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 159009816
• Molecular Formula: C250H524N42O6S4
• Molecular Weight: 4343.50 g/mol
• Exact Mass: 4340.09
• IUPAC Name: benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1CCOC1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.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.CC(C)C.CN1C(=O)CCC1C(C)(C)C.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1
• InChI: InChI=1S/C9H17NO.C8H13N.C8H16O.2C7H12N2.3C6H11N3.C6H6.C5H7N.C5H5N.4C5H12.2C4H6N2.2C4H4N2.C4H4O.C4H4S.14C4H10.3C3H5N3.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S.26C2H6/c1-9(2,3)7-5-6-8(11)10(7)4;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6(2,3)9-4-7-8-5-9;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-5-4-7-8-9;1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-4-6-5-3-1;4*1-5(2,3)4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;14*1-4(2)3;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;3*1-2-4-5-3-1;26*1-2/h7H,5-6H2,1-4H3;4-7H,1-3H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3;3*4-5H,1-3H3;1-6H;2-5H,1H3;1-5H;4*1-4H3;2*2-4H,1H3;2*1-4H;2*1-4H;14*4H,1-3H3;3*2-3H,1H3;4*1-3H;2*1-2H;26*1-2H3
• InChIKey: JSINWDJDMPURGO-UHFFFAOYSA-N
• XLogP: 82.81
• TPSA: 515.07 Ų
• H-Bond Acceptors: 51
• Heavy Atoms: 302
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4343.50
LogP ≤ 5	82.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The IUPAC name of benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (CID 159009816) is benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

What is the SMILES notation for benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The canonical SMILES for benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1CCOC1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.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.CC(C)C.CN1C(=O)CCC1C(C)(C)C.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.

What is the InChIKey of benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The InChIKey is JSINWDJDMPURGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C8H13N.C8H16O.2C7H12N2.3C6H11N3.C6H6.C5H7N.C5H5N.4C5H12.2C4H6N2.2C4H4N2.C4H4O.C4H4S.14C4H10.3C3H5N3.2C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S.26C2H6/c1-9(2,3)7-5-6-8(11)10(7)4;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6(2,3)9-4-7-8-5-9;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-5-4-7-8-9;1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-4-6-5-3-1;4*1-5(2,3)4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;14*1-4(2)3;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;3*1-2-4-5-3-1;26*1-2/h7H,5-6H2,1-4H3;4-7H,1-3H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3;3*4-5H,1-3H3;1-6H;2-5H,1H3;1-5H;4*1-4H3;2*2-4H,1H3;2*1-4H;2*1-4H;14*4H,1-3H3;3*2-3H,1H3;4*1-3H;2*1-2H;26*1-2H3.

What are the key properties of benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 4343.50 g/mol, XLogP of 82.81, 0 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1-tert-butylimidazole;5-tert-butyl-1-methylpyrrolidin-2-one;3-tert-butyloxolane;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;tetradecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 159009816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).