hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide

C23H32N8 — CID 167443549

IUPAChydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide
SMILESNN.[H]/N=C(\N)c1ccc(/C=C/C)cc1N1CCN(Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C23H28N6.H4N2/c1-3-6-17-9-10-18(23(24)25)21(15-17)29-13-11-28(12-14-29)16-22-26-19-7-4-5-8-20(19)27(22)2;1-2/h3-10,15H,11-14,16H2,1-2H3,(H3,24,25);1-2H2/b6-3+;
InChIKeyYIRYLCDIBZDLSH-ZIKNSQGESA-N
MW420.57 g/mol
LogP2.03
Rot. Bonds5

About hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide

hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide (PubChem CID 167443549) has the molecular formula C23H32N8 and a molecular weight of 420.57 g/mol. Its IUPAC name is hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound Namehydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide
PubChem CID167443549
Molecular FormulaC23H32N8
Molecular Weight420.57 g/mol
Exact Mass420.27
IUPAC Namehydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide
SMILESNN.[H]/N=C(\N)c1ccc(/C=C/C)cc1N1CCN(Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C23H28N6.H4N2/c1-3-6-17-9-10-18(23(24)25)21(15-17)29-13-11-28(12-14-29)16-22-26-19-7-4-5-8-20(19)27(22)2;1-2/h3-10,15H,11-14,16H2,1-2H3,(H3,24,25);1-2H2/b6-3+;
InChIKeyYIRYLCDIBZDLSH-ZIKNSQGESA-N
XLogP2.03
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

4-methyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzenecarboximidamide
CID 167443603
4-ethoxy-2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzenecarboximidamide
CID 167443750
2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzoic acid
CID 171780051
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
CID 24849789
1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole
CID 46225320
ethanol;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-(trifluoromethyl)benzenethiol
CID 167443695
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole
CID 2991156
5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 114892880
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81299546

Frequently Asked Questions

What is the IUPAC name of hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide?
The IUPAC name of hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide (CID 167443549) is hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide?
The canonical SMILES for hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide is NN.[H]/N=C(\N)c1ccc(/C=C/C)cc1N1CCN(Cc2nc3ccccc3n2C)CC1.
What is the InChIKey of hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide?
The InChIKey is YIRYLCDIBZDLSH-ZIKNSQGESA-N. The full InChI is InChI=1S/C23H28N6.H4N2/c1-3-6-17-9-10-18(23(24)25)21(15-17)29-13-11-28(12-14-29)16-22-26-19-7-4-5-8-20(19)27(22)2;1-2/h3-10,15H,11-14,16H2,1-2H3,(H3,24,25);1-2H2/b6-3+;.
What are the key properties of hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide?
hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide has a molecular weight of 420.57 g/mol, XLogP of 2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-[(E)-prop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 167443549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).