2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole

C26H24N8 — CID 135928490

IUPAC2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc7cn[nH]c7c6)ccc45)nc23)CC1
InChIInChI=1S/C26H24N8/c1-33-9-11-34(12-10-33)23-4-2-3-20-25(23)29-26(28-20)24-19-8-7-17(14-22(19)31-32-24)16-5-6-18-15-27-30-21(18)13-16/h2-8,13-15H,9-12H2,1H3,(H,27,30)(H,28,29)(H,31,32)
InChIKeyHREAUOIPHVQHLL-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.40
Rot. Bonds3

About 2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole

2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 135928490) has the molecular formula C26H24N8 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID135928490
Molecular FormulaC26H24N8
Molecular Weight448.53 g/mol
Exact Mass448.21
IUPAC Name2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc7cn[nH]c7c6)ccc45)nc23)CC1
InChIInChI=1S/C26H24N8/c1-33-9-11-34(12-10-33)23-4-2-3-20-25(23)29-26(28-20)24-19-8-7-17(14-22(19)31-32-24)16-5-6-18-15-27-30-21(18)13-16/h2-8,13-15H,9-12H2,1H3,(H,27,30)(H,28,29)(H,31,32)
InChIKeyHREAUOIPHVQHLL-UHFFFAOYSA-N
XLogP4.40
TPSA92.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 135928490) is 2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole is CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc7cn[nH]c7c6)ccc45)nc23)CC1.
What is the InChIKey of 2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is HREAUOIPHVQHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8/c1-33-9-11-34(12-10-33)23-4-2-3-20-25(23)29-26(28-20)24-19-8-7-17(14-22(19)31-32-24)16-5-6-18-15-27-30-21(18)13-16/h2-8,13-15H,9-12H2,1H3,(H,27,30)(H,28,29)(H,31,32).
What are the key properties of 2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 448.53 g/mol, XLogP of 4.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-indazol-6-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 135928490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).