N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide

C7H8N4 — CID 176528668

IUPACN'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide
SMILESC=C/N=C/NC1=NC=NC1=C
InChIInChI=1S/C7H8N4/c1-3-8-4-10-7-6(2)9-5-11-7/h3-5H,1-2H2,(H,8,9,10,11)
InChIKeyGSELGISUYGDAHH-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.70
Rot. Bonds2

About N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide

N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide (PubChem CID 176528668) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide
PubChem CID176528668
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC NameN'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide
SMILESC=C/N=C/NC1=NC=NC1=C
InChIInChI=1S/C7H8N4/c1-3-8-4-10-7-6(2)9-5-11-7/h3-5H,1-2H2,(H,8,9,10,11)
InChIKeyGSELGISUYGDAHH-UHFFFAOYSA-N
XLogP0.70
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide?
The IUPAC name of N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide (CID 176528668) is N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide.
What is the SMILES notation for N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide?
The canonical SMILES for N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide is C=C/N=C/NC1=NC=NC1=C.
What is the InChIKey of N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide?
The InChIKey is GSELGISUYGDAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-3-8-4-10-7-6(2)9-5-11-7/h3-5H,1-2H2,(H,8,9,10,11).
What are the key properties of N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide?
N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide has a molecular weight of 148.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide is sourced from PubChem (CID 176528668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).