6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole

C24H22N7+ — CID 123687680

IUPAC6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESC=[N+]1CCN(c2ccc3nc(-c4ccc5nc(-c6ccccn6)[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C24H22N7/c1-30-10-12-31(13-11-30)17-6-8-19-22(15-17)28-23(26-19)16-5-7-18-21(14-16)29-24(27-18)20-4-2-3-9-25-20/h2-9,14-15H,1,10-13H2,(H,26,28)(H,27,29)/q+1
InChIKeyYMOFGQJWHUJEDK-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.70
Rot. Bonds3

About 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole

6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole (PubChem CID 123687680) has the molecular formula C24H22N7+ and a molecular weight of 408.49 g/mol. Its IUPAC name is 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
PubChem CID123687680
Molecular FormulaC24H22N7+
Molecular Weight408.49 g/mol
Exact Mass408.19
IUPAC Name6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESC=[N+]1CCN(c2ccc3nc(-c4ccc5nc(-c6ccccn6)[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C24H22N7/c1-30-10-12-31(13-11-30)17-6-8-19-22(15-17)28-23(26-19)16-5-7-18-21(14-16)29-24(27-18)20-4-2-3-9-25-20/h2-9,14-15H,1,10-13H2,(H,26,28)(H,27,29)/q+1
InChIKeyYMOFGQJWHUJEDK-UHFFFAOYSA-N
XLogP3.70
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-6-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 118251196
4-[6-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol;trihydrochloride
CID 159203040
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
4-[2-[2-(4-but-3-enyl-2-pyridinyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N-methylpiperazin-1-amine
CID 123467586
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-(3-butoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 166963203
2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
CID 118989540
3-methoxy-5-[6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzene-1,2-diol
CID 162530804
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The IUPAC name of 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole (CID 123687680) is 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole is C=[N+]1CCN(c2ccc3nc(-c4ccc5nc(-c6ccccn6)[nH]c5c4)[nH]c3c2)CC1.
What is the InChIKey of 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The InChIKey is YMOFGQJWHUJEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N7/c1-30-10-12-31(13-11-30)17-6-8-19-22(15-17)28-23(26-19)16-5-7-18-21(14-16)29-24(27-18)20-4-2-3-9-25-20/h2-9,14-15H,1,10-13H2,(H,26,28)(H,27,29)/q+1.
What are the key properties of 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole has a molecular weight of 408.49 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylidenepiperazin-4-ium-1-yl)-2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 123687680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).