Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole

C₁₂₂H₂₃₂N₁₆OS — CID 158436560

About Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole

Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole (PubChem CID 158436560) has the molecular formula C₁₂₂H₂₃₂N₁₆OS and a molecular weight of 1971.38 g/mol. Its IUPAC name is ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

• Compound Name: Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole
• PubChem CID: 158436560
• Molecular Formula: C₁₂₂H₂₃₂N₁₆OS
• Molecular Weight: 1971.38 g/mol
• Exact Mass: 1969.83
• IUPAC Name: ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole
• SMILES: C1CCNCC1.C1CCNCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
• InChI: InChI=1S/C10H12N2.C10H11NO.C10H11NS.2C9H11N3.2C7H6N2.2C5H11N.4C4H10.17C2H6/c3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12;2*1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-6-5-3-1;4*1-4(2)3;17*1-2/h3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;2*1-5H,(H,8,9);2*6H,1-5H2;4*4H,1-3H3;17*1-2H3
• InChIKey: HCHJFMZRORLBLE-UHFFFAOYSA-N
• XLogP: 41.82
• TPSA: 210.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1971.38
LogP ≤ 5	41.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole?

The IUPAC name of Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole (CID 158436560) is ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole.

What is the SMILES notation for Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole?

The canonical SMILES for Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole is C1CCNCC1.C1CCNCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.

What is the InChIKey of Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole?

The InChIKey is HCHJFMZRORLBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H11NO.C10H11NS.2C9H11N3.2C7H6N2.2C5H11N.4C4H10.17C2H6/c3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12;2*1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-6-5-3-1;4*1-4(2)3;17*1-2/h3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;2*1-5H,(H,8,9);2*6H,1-5H2;4*4H,1-3H3;17*1-2H3.

What are the key properties of Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole?

Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole has a molecular weight of 1971.38 g/mol, XLogP of 41.82, 5 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 158436560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158436560 — identifiers, structure, computed properties (public domain)

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