1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane)

C92H132N6O7S2 — CID 157244066

About 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane)

1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane) (PubChem CID 157244066) has the molecular formula C92H132N6O7S2 and a molecular weight of 1498.24 g/mol. Its IUPAC name is 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane).

Molecular Properties

• Compound Name: 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane)
• PubChem CID: 157244066
• Molecular Formula: C92H132N6O7S2
• Molecular Weight: 1498.24 g/mol
• Exact Mass: 1496.96
• IUPAC Name: 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane)
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.O=C1CCc2ccccc21.O=c1[nH]c2ccccc2o1.O=c1oc2ccccc2s1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2nonc2c1
• InChI: InChI=1S/C9H8O.C8H9N.C8H8O.C8H8S.C7H6N2.C7H5NO2.C7H4O2S.C6H4N2O.8C4H10/c10-9-6-5-7-3-1-2-4-8(7)9;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;9-7-8-5-3-1-2-4-6(5)10-7;8-7-9-5-3-1-2-4-6(5)10-7;1-2-4-6-5(3-1)7-9-8-6;8*1-4(2)3/h1-4H,5-6H2;1-4,9H,5-6H2;2*1-4H,5-6H2;1-5H,(H,8,9);1-4H,(H,8,9);1-4H;1-4H;8*4H,1-3H3
• InChIKey: AVNXAMORIXUBHG-UHFFFAOYSA-N
• XLogP: 26.49
• TPSA: 182.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.24
LogP ≤ 5	26.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane)?

The IUPAC name of 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane) (CID 157244066) is 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane).

What is the SMILES notation for 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane)?

The canonical SMILES for 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane) is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.O=C1CCc2ccccc21.O=c1[nH]c2ccccc2o1.O=c1oc2ccccc2s1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2nonc2c1.

What is the InChIKey of 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane)?

The InChIKey is AVNXAMORIXUBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C8H9N.C8H8O.C8H8S.C7H6N2.C7H5NO2.C7H4O2S.C6H4N2O.8C4H10/c10-9-6-5-7-3-1-2-4-8(7)9;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;9-7-8-5-3-1-2-4-6(5)10-7;8-7-9-5-3-1-2-4-6(5)10-7;1-2-4-6-5(3-1)7-9-8-6;8*1-4(2)3/h1-4H,5-6H2;1-4,9H,5-6H2;2*1-4H,5-6H2;1-5H,(H,8,9);1-4H,(H,8,9);1-4H;1-4H;8*4H,1-3H3.

What are the key properties of 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane)?

1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane) has a molecular weight of 1498.24 g/mol, XLogP of 26.49, 0 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;2,1,3-benzoxadiazole;1,3-benzoxathiol-2-one;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;octakis(2-methylpropane) is sourced from PubChem (CID 157244066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).