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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Related Compounds

2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820353
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one
CID 59784658
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
1-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2-one
CID 57336746
azane;2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 69083444
2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;tetrahydrate;trihydrochloride
CID 146675206
2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 131704506
4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
CID 46986154
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371
2-(3-butoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 166963203
2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
CID 168554407

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).