2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole

C24H27FN6 — CID 135458467

IUPAC2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
SMILESFc1ccc2c(-c3nc4ccc(N5CCC(N6CCCCC6)CC5)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C24H27FN6/c25-16-4-6-19-21(14-16)28-29-23(19)24-26-20-7-5-18(15-22(20)27-24)31-12-8-17(9-13-31)30-10-2-1-3-11-30/h4-7,14-15,17H,1-3,8-13H2,(H,26,27)(H,28,29)
InChIKeyLRYKPJMJKRDDIX-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.70
Rot. Bonds3

About 2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole

2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole (PubChem CID 135458467) has the molecular formula C24H27FN6 and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
PubChem CID135458467
Molecular FormulaC24H27FN6
Molecular Weight418.52 g/mol
Exact Mass418.23
IUPAC Name2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
SMILESFc1ccc2c(-c3nc4ccc(N5CCC(N6CCCCC6)CC5)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C24H27FN6/c25-16-4-6-19-21(14-16)28-29-23(19)24-26-20-7-5-18(15-22(20)27-24)31-12-8-17(9-13-31)30-10-2-1-3-11-30/h4-7,14-15,17H,1-3,8-13H2,(H,26,27)(H,28,29)
InChIKeyLRYKPJMJKRDDIX-UHFFFAOYSA-N
XLogP4.70
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole (CID 135458467) is 2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole is Fc1ccc2c(-c3nc4ccc(N5CCC(N6CCCCC6)CC5)cc4[nH]3)n[nH]c2c1.
What is the InChIKey of 2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole?
The InChIKey is LRYKPJMJKRDDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6/c25-16-4-6-19-21(14-16)28-29-23(19)24-26-20-7-5-18(15-22(20)27-24)31-12-8-17(9-13-31)30-10-2-1-3-11-30/h4-7,14-15,17H,1-3,8-13H2,(H,26,27)(H,28,29).
What are the key properties of 2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole?
2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole has a molecular weight of 418.52 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 135458467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).