2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol

C23H19Cl2N5O2 — CID 137133110

About 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol

2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol (PubChem CID 137133110) has the molecular formula C23H19Cl2N5O2 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol.

Molecular Properties

• Compound Name: 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol
• PubChem CID: 137133110
• Molecular Formula: C23H19Cl2N5O2
• Molecular Weight: 468.34 g/mol
• Exact Mass: 467.09
• IUPAC Name: 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol
• SMILES: CC(Oc1ccc2[nH]nc(-c3nc4ccc(CCO)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C23H19Cl2N5O2/c1-12(21-16(24)10-26-11-17(21)25)32-14-3-5-18-15(9-14)22(30-29-18)23-27-19-4-2-13(6-7-31)8-20(19)28-23/h2-5,8-12,31H,6-7H2,1H3,(H,27,28)(H,29,30)
• InChIKey: KJAJDINGBBZCDE-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 99.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.34
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol?

The IUPAC name of 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol (CID 137133110) is 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol.

What is the SMILES notation for 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol?

The canonical SMILES for 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol is CC(Oc1ccc2[nH]nc(-c3nc4ccc(CCO)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl.

What is the InChIKey of 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol?

The InChIKey is KJAJDINGBBZCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O2/c1-12(21-16(24)10-26-11-17(21)25)32-14-3-5-18-15(9-14)22(30-29-18)23-27-19-4-2-13(6-7-31)8-20(19)28-23/h2-5,8-12,31H,6-7H2,1H3,(H,27,28)(H,29,30).

What are the key properties of 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol?

2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol has a molecular weight of 468.34 g/mol, XLogP of 5.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]ethanol is sourced from PubChem (CID 137133110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).