1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)

C299H490N22O5S2 — CID 159738442

About 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)

1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) (PubChem CID 159738442) has the molecular formula C299H490N22O5S2 and a molecular weight of 4537.49 g/mol. Its IUPAC name is 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole).

Molecular Properties

• Compound Name: 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)
• PubChem CID: 159738442
• Molecular Formula: C299H490N22O5S2
• Molecular Weight: 4537.49 g/mol
• Exact Mass: 4533.82
• IUPAC Name: 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)
• SMILES: C.C.C.C.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.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)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1nc2ccccc2n1C.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.Cc1c(C(C)C)oc2ccccc12.Cc1cc2c(cc1C(C)C)nc(C(C)C)n2C.Cc1cc2nc(C(C)C)n(C)c2cc1C(C)C.Cc1oc2ccccc2c1C(C)C.c1ccc2occc2c1
• InChI: InChI=1S/2C15H22N2.4C12H15N.2C12H14O.C12H18.C11H14N2.2C11H17N.3C10H16N2.2C9H8.C8H6O.2C6H9NO.2C6H9NS.17C4H10.4CH4/c1-9(2)12-8-13-14(7-11(12)5)17(6)15(16-13)10(3)4;1-9(2)12-8-14-13(7-11(12)5)16-15(10(3)4)17(14)6;2*1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;2*1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;4*1-5(2)6-7-3-4-8-6;17*1-4(2)3;;;;/h2*7-10H,1-6H3;4*4-9H,1-3H3;2*4-8H,1-3H3;5-10H,1-4H3;4-8H,1-3H3;2*5-9H,1-4H3;3*5-8H,1-4H3;2*1-6H,7H2;1-6H;4*3-5H,1-2H3;17*4H,1-3H3;4*1H4
• InChIKey: NCDBDRLBAGRGAZ-UHFFFAOYSA-N
• XLogP: 96.53
• TPSA: 293.56 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 328
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4537.49
LogP ≤ 5	96.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)?

The IUPAC name of 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) (CID 159738442) is 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole).

What is the SMILES notation for 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)?

The canonical SMILES for 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) is C.C.C.C.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.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)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1nc2ccccc2n1C.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.Cc1c(C(C)C)oc2ccccc12.Cc1cc2c(cc1C(C)C)nc(C(C)C)n2C.Cc1cc2nc(C(C)C)n(C)c2cc1C(C)C.Cc1oc2ccccc2c1C(C)C.c1ccc2occc2c1.

What is the InChIKey of 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)?

The InChIKey is NCDBDRLBAGRGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H22N2.4C12H15N.2C12H14O.C12H18.C11H14N2.2C11H17N.3C10H16N2.2C9H8.C8H6O.2C6H9NO.2C6H9NS.17C4H10.4CH4/c1-9(2)12-8-13-14(7-11(12)5)17(6)15(16-13)10(3)4;1-9(2)12-8-14-13(7-11(12)5)16-15(10(3)4)17(14)6;2*1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;2*1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;4*1-5(2)6-7-3-4-8-6;17*1-4(2)3;;;;/h2*7-10H,1-6H3;4*4-9H,1-3H3;2*4-8H,1-3H3;5-10H,1-4H3;4-8H,1-3H3;2*5-9H,1-4H3;3*5-8H,1-4H3;2*1-6H,7H2;1-6H;4*3-5H,1-2H3;17*4H,1-3H3;4*1H4.

What are the key properties of 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)?

1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) has a molecular weight of 4537.49 g/mol, XLogP of 96.53, 27 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole) is sourced from PubChem (CID 159738442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).