4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole

C18H18N6O — CID 59785439

IUPAC4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole
SMILESCN1CCN(c2ccc3nc(-c4cccc5nonc45)[nH]c3c2)CC1
InChIInChI=1S/C18H18N6O/c1-23-7-9-24(10-8-23)12-5-6-14-16(11-12)20-18(19-14)13-3-2-4-15-17(13)22-25-21-15/h2-6,11H,7-10H2,1H3,(H,19,20)
InChIKeyTUNDYQXYJUAOPK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.52
Rot. Bonds2

About 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole

4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole (PubChem CID 59785439) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole
PubChem CID59785439
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole
SMILESCN1CCN(c2ccc3nc(-c4cccc5nonc45)[nH]c3c2)CC1
InChIInChI=1S/C18H18N6O/c1-23-7-9-24(10-8-23)12-5-6-14-16(11-12)20-18(19-14)13-3-2-4-15-17(13)22-25-21-15/h2-6,11H,7-10H2,1H3,(H,19,20)
InChIKeyTUNDYQXYJUAOPK-UHFFFAOYSA-N
XLogP2.52
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole?
The IUPAC name of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole (CID 59785439) is 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole is CN1CCN(c2ccc3nc(-c4cccc5nonc45)[nH]c3c2)CC1.
What is the InChIKey of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole?
The InChIKey is TUNDYQXYJUAOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-23-7-9-24(10-8-23)12-5-6-14-16(11-12)20-18(19-14)13-3-2-4-15-17(13)22-25-21-15/h2-6,11H,7-10H2,1H3,(H,19,20).
What are the key properties of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole?
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole has a molecular weight of 334.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 59785439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).