2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole

C26H23N7 — CID 53322716

IUPAC2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESc1nc2ccc(-c3nc4ccc(-c5nc6ccc(N7CCCCC7)cc6[nH]5)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C26H23N7/c1-2-10-33(11-3-1)18-6-9-21-24(14-18)32-26(30-21)17-5-8-20-23(13-17)31-25(29-20)16-4-7-19-22(12-16)28-15-27-19/h4-9,12-15H,1-3,10-11H2,(H,27,28)(H,29,31)(H,30,32)
InChIKeyOINMIDIEZUTOQX-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.64
Rot. Bonds3

About 2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole

2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole (PubChem CID 53322716) has the molecular formula C26H23N7 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
PubChem CID53322716
Molecular FormulaC26H23N7
Molecular Weight433.52 g/mol
Exact Mass433.20
IUPAC Name2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESc1nc2ccc(-c3nc4ccc(-c5nc6ccc(N7CCCCC7)cc6[nH]5)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C26H23N7/c1-2-10-33(11-3-1)18-6-9-21-24(14-18)32-26(30-21)17-5-8-20-23(13-17)31-25(29-20)16-4-7-19-22(12-16)28-15-27-19/h4-9,12-15H,1-3,10-11H2,(H,27,28)(H,29,31)(H,30,32)
InChIKeyOINMIDIEZUTOQX-UHFFFAOYSA-N
XLogP5.64
TPSA89.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole (CID 53322716) is 2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole is c1nc2ccc(-c3nc4ccc(-c5nc6ccc(N7CCCCC7)cc6[nH]5)cc4[nH]3)cc2[nH]1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The InChIKey is OINMIDIEZUTOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7/c1-2-10-33(11-3-1)18-6-9-21-24(14-18)32-26(30-21)17-5-8-20-23(13-17)31-25(29-20)16-4-7-19-22(12-16)28-15-27-19/h4-9,12-15H,1-3,10-11H2,(H,27,28)(H,29,31)(H,30,32).
What are the key properties of 2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole has a molecular weight of 433.52 g/mol, XLogP of 5.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-6-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 53322716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).