1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole

C134H217N15O2 — CID 167665179

About 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole

1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole (PubChem CID 167665179) has the molecular formula C134H217N15O2 and a molecular weight of 2070.31 g/mol. Its IUPAC name is 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole.

Molecular Properties

• Compound Name: 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole
• PubChem CID: 167665179
• Molecular Formula: C134H217N15O2
• Molecular Weight: 2070.31 g/mol
• Exact Mass: 2068.73
• IUPAC Name: 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)(C)N1CCc2ccccc21.CC(C)(C)N1CCc2cccnc21.CC(C)(C)N1CCc2ncccc21.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1cnc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1CCn2c1cccc2=O.CC(C)n1ncc2ccccc21
• InChI: InChI=1S/C13H19N.C12H17NO.C12H17N.C12H15N.C12H17N.2C11H16N2.C11H14N2.C10H14N2O.C10H12N2.10C2H6/c1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13;2*1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-11(2,3)13-8-6-9-10(13)5-4-7-12-9;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-8(2)11-6-7-12-9(11)4-3-5-10(12)13;1-8(2)12-10-6-4-3-5-9(10)7-11-12;10*1-2/h4-5,7,9H,6,8,10H2,1-3H3;4-7H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;4-9H,1-3H3;3-6,10H,7-9H2,1-2H3;2*4-5,7H,6,8H2,1-3H3;4-8H,1-3H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;10*1-2H3
• InChIKey: SNJBVIYYHVZEGX-UHFFFAOYSA-N
• XLogP: 35.85
• TPSA: 120.26 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 3
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.31
LogP ≤ 5	35.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole?

The IUPAC name of 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole (CID 167665179) is 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole.

What is the SMILES notation for 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole?

The canonical SMILES for 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)(C)N1CCc2ccccc21.CC(C)(C)N1CCc2cccnc21.CC(C)(C)N1CCc2ncccc21.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1cnc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1CCn2c1cccc2=O.CC(C)n1ncc2ccccc21.

What is the InChIKey of 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole?

The InChIKey is SNJBVIYYHVZEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.C12H17N.C12H15N.C12H17N.2C11H16N2.C11H14N2.C10H14N2O.C10H12N2.10C2H6/c1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13;2*1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-11(2,3)13-8-6-9-10(13)5-4-7-12-9;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-8(2)11-6-7-12-9(11)4-3-5-10(12)13;1-8(2)12-10-6-4-3-5-9(10)7-11-12;10*1-2/h4-5,7,9H,6,8,10H2,1-3H3;4-7H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;4-9H,1-3H3;3-6,10H,7-9H2,1-2H3;2*4-5,7H,6,8H2,1-3H3;4-8H,1-3H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;10*1-2H3.

What are the key properties of 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole?

1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole has a molecular weight of 2070.31 g/mol, XLogP of 35.85, 3 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole is sourced from PubChem (CID 167665179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).