ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline

C216H308N26O3S2 — CID 165099029

About ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline

ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline (PubChem CID 165099029) has the molecular formula C216H308N26O3S2 and a molecular weight of 3381.15 g/mol. Its IUPAC name is ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline.

Molecular Properties

• Compound Name: ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
• PubChem CID: 165099029
• Molecular Formula: C216H308N26O3S2
• Molecular Weight: 3381.15 g/mol
• Exact Mass: 3378.42
• IUPAC Name: ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc(O)c2cc[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1nc2ncccc2[nH]1
• InChI: InChI=1S/3C12H13N.C11H14N2.4C11H12N2.C11H13NO.C11H13N.2C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.17C2H6/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-7(2)8-5-10-9(3-4-12-10)11(13)6-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)8-11-7-4-3-5-10-9(7)12-8;17*1-2/h3*3-9H,1-2H3;4-8H,1-3H3;4*3-8H,1-2H3;3-7,12-13H,1-2H3;3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);17*1-2H3
• InChIKey: XZWYHAILFRUUOV-UHFFFAOYSA-N
• XLogP: 67.71
• TPSA: 388.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3381.15
LogP ≤ 5	67.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?

The IUPAC name of ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline (CID 165099029) is ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline.

What is the SMILES notation for ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?

The canonical SMILES for ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc(O)c2cc[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1nc2ncccc2[nH]1.

What is the InChIKey of ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?

The InChIKey is XZWYHAILFRUUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H13N.C11H14N2.4C11H12N2.C11H13NO.C11H13N.2C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.17C2H6/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-7(2)8-5-10-9(3-4-12-10)11(13)6-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)8-11-7-4-3-5-10-9(7)12-8;17*1-2/h3*3-9H,1-2H3;4-8H,1-3H3;4*3-8H,1-2H3;3-7,12-13H,1-2H3;3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);17*1-2H3.

What are the key properties of ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?

ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline has a molecular weight of 3381.15 g/mol, XLogP of 67.71, 17 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline is sourced from PubChem (CID 165099029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).