1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole

C128H184N10O3S — CID 160751520

About 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole

1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole (PubChem CID 160751520) has the molecular formula C128H184N10O3S and a molecular weight of 1943.01 g/mol. Its IUPAC name is 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole.

Molecular Properties

• Compound Name: 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole
• PubChem CID: 160751520
• Molecular Formula: C128H184N10O3S
• Molecular Weight: 1943.01 g/mol
• Exact Mass: 1941.43
• IUPAC Name: 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole
• SMILES: C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1Cc2ccccc2C1.CC(C)n1cc2ccccc2c1.CC(C)n1ccc2ccccc21.O=C1CCc2ccccc21.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2nonc2c1
• InChI: InChI=1S/C12H17N.C11H15N.C11H13N.C11H15N.C11H13N.C9H8O.C8H9N.C8H8O.C8H8S.C7H6N2.C6H4N2O.6C4H10.2CH4/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;10-9-6-5-7-3-1-2-4-8(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;1-2-4-6-5(3-1)7-9-8-6;6*1-4(2)3;;/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;1-4H,5-6H2;1-4,9H,5-6H2;2*1-4H,5-6H2;1-5H,(H,8,9);1-4H;6*4H,1-3H3;2*1H4
• InChIKey: RWWQOCMNVAKIMW-UHFFFAOYSA-N
• XLogP: 35.62
• TPSA: 125.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1943.01
LogP ≤ 5	35.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole?

The IUPAC name of 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole (CID 160751520) is 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole.

What is the SMILES notation for 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole?

The canonical SMILES for 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole is C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1Cc2ccccc2C1.CC(C)n1cc2ccccc2c1.CC(C)n1ccc2ccccc21.O=C1CCc2ccccc21.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2nonc2c1.

What is the InChIKey of 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole?

The InChIKey is RWWQOCMNVAKIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C11H15N.C11H13N.C11H15N.C11H13N.C9H8O.C8H9N.C8H8O.C8H8S.C7H6N2.C6H4N2O.6C4H10.2CH4/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;2*1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;10-9-6-5-7-3-1-2-4-8(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;1-2-4-6-5(3-1)7-9-8-6;6*1-4(2)3;;/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;1-4H,5-6H2;1-4,9H,5-6H2;2*1-4H,5-6H2;1-5H,(H,8,9);1-4H;6*4H,1-3H3;2*1H4.

What are the key properties of 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole?

1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole has a molecular weight of 1943.01 g/mol, XLogP of 35.62, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydroinden-1-one;2,3-dihydro-1H-indole;methane;hexakis(2-methylpropane);1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylindole;2-propan-2-ylisoindole is sourced from PubChem (CID 160751520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).