2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

C83H96N20S5 — CID 157370607

About 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 157370607) has the molecular formula C83H96N20S5 and a molecular weight of 1534.16 g/mol. Its IUPAC name is 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
• PubChem CID: 157370607
• Molecular Formula: C83H96N20S5
• Molecular Weight: 1534.16 g/mol
• Exact Mass: 1532.67
• IUPAC Name: 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
• SMILES: CC(C)c1cn2cnccc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1
• InChI: InChI=1S/C10H12N2.C10H11NS.3C9H11N3.4C9H10N2S/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-5-12-6-10-4-3-9(12)11-8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8/h3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3;4*3-6H,1-2H3
• InChIKey: BJSHHWNVJVKOHA-UHFFFAOYSA-N
• XLogP: 23.15
• TPSA: 246.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.16
LogP ≤ 5	23.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?

The IUPAC name of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (CID 157370607) is 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.

What is the SMILES notation for 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?

The canonical SMILES for 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is CC(C)c1cn2cnccc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1.

What is the InChIKey of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?

The InChIKey is BJSHHWNVJVKOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H11NS.3C9H11N3.4C9H10N2S/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-5-12-6-10-4-3-9(12)11-8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8/h3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3;4*3-6H,1-2H3.

What are the key properties of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?

2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 1534.16 g/mol, XLogP of 23.15, 9 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 157370607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).