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

C278H586N32O4S4 — CID 157465566

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

benzene;1-tert-butylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1,3-ditert-butyl-5-methyl-1,2,4-triazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 157465566) has the molecular formula C278H586N32O4S4 and a molecular weight of 4570.23 g/mol. Its IUPAC name is benzene;1-tert-butylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1,3-ditert-butyl-5-methyl-1,2,4-triazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: benzene;1-tert-butylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1,3-ditert-butyl-5-methyl-1,2,4-triazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 157465566
• Molecular Formula: C278H586N32O4S4
• Molecular Weight: 4570.23 g/mol
• Exact Mass: 4566.55
• IUPAC Name: benzene;1-tert-butylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1,3-ditert-butyl-5-methyl-1,2,4-triazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;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(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.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.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)c1nnc(C(C)(C)C)n1C.Cc1c(C(C)(C)C)nnn1C(C)(C)C.Cc1nc(C(C)(C)C)nn1C(C)(C)C.Cn1cccc1.Cn1cccn1.Cn1ccnc1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
• InChI: InChI=1S/2C11H21N3.C10H19N3.C10H18N2O.C10H18N2S.C8H13N.2C7H12N2.C6H6.C5H7N.C5H5N.4C5H12.2C4H6N2.2C4H4N2.C4H4O.C4H4S.25C4H10.2C3H3NO.2C3H3NS.16C2H6/c1-8-12-9(10(2,3)4)13-14(8)11(5,6)7;1-8-9(10(2,3)4)12-13-14(8)11(5,6)7;1-7(2)8-11-12-9(13(8)6)10(3,4)5;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(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;1-2-4-6-5-3-1;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;25*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;16*1-2/h2*1-7H3;7H,1-6H3;2*1-6H3;4-7H,1-3H3;2*4-6H,1-3H3;1-6H;2-5H,1H3;1-5H;4*1-4H3;2*2-4H,1H3;2*1-4H;2*1-4H;25*4H,1-3H3;4*1-3H;16*1-2H3
• InChIKey: BUKXBPYGNAVOIJ-UHFFFAOYSA-N
• XLogP: 97.27
• TPSA: 393.40 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 1
• Heavy Atoms: 318
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4570.23
LogP ≤ 5	97.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of benzene;1-tert-butylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1,3-ditert-butyl-5-methyl-1,2,4-triazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene (CID 157465566) is benzene;1-tert-butylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1,3-ditert-butyl-5-methyl-1,2,4-triazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene.

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

The canonical SMILES for benzene;1-tert-butylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1,3-ditert-butyl-5-methyl-1,2,4-triazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;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(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.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.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)c1nnc(C(C)(C)C)n1C.Cc1c(C(C)(C)C)nnn1C(C)(C)C.Cc1nc(C(C)(C)C)nn1C(C)(C)C.Cn1cccc1.Cn1cccn1.Cn1ccnc1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.

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

The InChIKey is BUKXBPYGNAVOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H21N3.C10H19N3.C10H18N2O.C10H18N2S.C8H13N.2C7H12N2.C6H6.C5H7N.C5H5N.4C5H12.2C4H6N2.2C4H4N2.C4H4O.C4H4S.25C4H10.2C3H3NO.2C3H3NS.16C2H6/c1-8-12-9(10(2,3)4)13-14(8)11(5,6)7;1-8-9(10(2,3)4)12-13-14(8)11(5,6)7;1-7(2)8-11-12-9(13(8)6)10(3,4)5;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(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;1-2-4-6-5-3-1;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;25*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;16*1-2/h2*1-7H3;7H,1-6H3;2*1-6H3;4-7H,1-3H3;2*4-6H,1-3H3;1-6H;2-5H,1H3;1-5H;4*1-4H3;2*2-4H,1H3;2*1-4H;2*1-4H;25*4H,1-3H3;4*1-3H;16*1-2H3.

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

benzene;1-tert-butylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1,3-ditert-butyl-5-methyl-1,2,4-triazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 4570.23 g/mol, XLogP of 97.27, 1 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1-tert-butylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1,3-ditert-butyl-5-methyl-1,2,4-triazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 157465566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).