amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium

C17H20N6+2 — CID 136768417

IUPACamino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium
SMILESC[n+]1cn(Cc2ccc(/C=N\NC=[NH+]N)cc2)c2ccccc21
InChIInChI=1S/C17H19N6/c1-22-13-23(17-5-3-2-4-16(17)22)11-15-8-6-14(7-9-15)10-20-21-12-19-18/h2-10,12-13H,11,18H2,1H3,(H,19,21)/q+1/p+1/b20-10-
InChIKeyZHNVSDJWUYJWJT-JMIUGGIZSA-O
MW308.39 g/mol
LogP-0.58
Rot. Bonds5

About amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium

amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium (PubChem CID 136768417) has the molecular formula C17H20N6+2 and a molecular weight of 308.39 g/mol. Its IUPAC name is amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium.

Molecular Properties

Compound Nameamino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium
PubChem CID136768417
Molecular FormulaC17H20N6+2
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Nameamino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium
SMILESC[n+]1cn(Cc2ccc(/C=N\NC=[NH+]N)cc2)c2ccccc21
InChIInChI=1S/C17H19N6/c1-22-13-23(17-5-3-2-4-16(17)22)11-15-8-6-14(7-9-15)10-20-21-12-19-18/h2-10,12-13H,11,18H2,1H3,(H,19,21)/q+1/p+1/b20-10-
InChIKeyZHNVSDJWUYJWJT-JMIUGGIZSA-O
XLogP-0.58
TPSA73.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[4-(3-methylbenzimidazol-3-ium-1-yl)butyl]benzimidazol-1-ium
CID 3790184
1-methyl-3-[6-(3-methylbenzimidazol-3-ium-1-yl)hexyl]benzimidazol-1-ium
CID 24809001
amino-[[(2Z)-2-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
CID 136795343
1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)propyl]benzimidazol-1-ium
CID 3815671
1-methyl-3-prop-2-enylbenzimidazol-1-ium bromide
CID 13211192
1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)propyl]benzimidazol-1-ium;dihydroiodide
CID 126956999
bromomethane;1-ethyl-3-methylbenzimidazol-3-ium
CID 91100213
ethyl 2-(3-methylbenzimidazol-3-ium-1-yl)acetate bromide
CID 10566034
1-butyl-3-methylbenzimidazol-3-ium bromide
CID 87786122
1-methyl-3-(methylsulfonylmethyl)benzimidazol-1-ium
CID 915028
1-methyl-3-propylbenzimidazol-1-ium hexafluorophosphate
CID 139045228
N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
CID 177459672

Frequently Asked Questions

What is the IUPAC name of amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium?
The IUPAC name of amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium (CID 136768417) is amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium.
What is the SMILES notation for amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium?
The canonical SMILES for amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium is C[n+]1cn(Cc2ccc(/C=N\NC=[NH+]N)cc2)c2ccccc21.
What is the InChIKey of amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium?
The InChIKey is ZHNVSDJWUYJWJT-JMIUGGIZSA-O. The full InChI is InChI=1S/C17H19N6/c1-22-13-23(17-5-3-2-4-16(17)22)11-15-8-6-14(7-9-15)10-20-21-12-19-18/h2-10,12-13H,11,18H2,1H3,(H,19,21)/q+1/p+1/b20-10-.
What are the key properties of amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium?
amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium has a molecular weight of 308.39 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[[(2Z)-2-[[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylidene]hydrazinyl]methylidene]azanium is sourced from PubChem (CID 136768417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).