6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole

C29H26N6 — CID 10389441

IUPAC6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESCN1CCN(c2ccc3nc(-c4ccc5nc(-c6cccc7ccccc67)[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C29H26N6/c1-34-13-15-35(16-14-34)21-10-12-25-27(18-21)32-28(30-25)20-9-11-24-26(17-20)33-29(31-24)23-8-4-6-19-5-2-3-7-22(19)23/h2-12,17-18H,13-16H2,1H3,(H,30,32)(H,31,33)
InChIKeyVLEMLDYTAYFYTJ-UHFFFAOYSA-N
MW458.57 g/mol
LogP5.68
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole

6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole (PubChem CID 10389441) has the molecular formula C29H26N6 and a molecular weight of 458.57 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
PubChem CID10389441
Molecular FormulaC29H26N6
Molecular Weight458.57 g/mol
Exact Mass458.22
IUPAC Name6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESCN1CCN(c2ccc3nc(-c4ccc5nc(-c6cccc7ccccc67)[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C29H26N6/c1-34-13-15-35(16-14-34)21-10-12-25-27(18-21)32-28(30-25)20-9-11-24-26(17-20)33-29(31-24)23-8-4-6-19-5-2-3-7-22(19)23/h2-12,17-18H,13-16H2,1H3,(H,30,32)(H,31,33)
InChIKeyVLEMLDYTAYFYTJ-UHFFFAOYSA-N
XLogP5.68
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole (CID 10389441) is 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole is CN1CCN(c2ccc3nc(-c4ccc5nc(-c6cccc7ccccc67)[nH]c5c4)[nH]c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The InChIKey is VLEMLDYTAYFYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6/c1-34-13-15-35(16-14-34)21-10-12-25-27(18-21)32-28(30-25)20-9-11-24-26(17-20)33-29(31-24)23-8-4-6-19-5-2-3-7-22(19)23/h2-12,17-18H,13-16H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole has a molecular weight of 458.57 g/mol, XLogP of 5.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 10389441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).