N'-(1H-imidazol-2-yl)ethanimidamide

C5H8N4 — CID 142107184

IUPACN'-(1H-imidazol-2-yl)ethanimidamide
SMILESC/C(N)=N/c1ncc[nH]1
InChIInChI=1S/C5H8N4/c1-4(6)9-5-7-2-3-8-5/h2-3H,1H3,(H3,6,7,8,9)
InChIKeyXSOMKAMZTMFIOG-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.42
Rot. Bonds1

About N'-(1H-imidazol-2-yl)ethanimidamide

N'-(1H-imidazol-2-yl)ethanimidamide (PubChem CID 142107184) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is N'-(1H-imidazol-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(1H-imidazol-2-yl)ethanimidamide
PubChem CID142107184
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC NameN'-(1H-imidazol-2-yl)ethanimidamide
SMILESC/C(N)=N/c1ncc[nH]1
InChIInChI=1S/C5H8N4/c1-4(6)9-5-7-2-3-8-5/h2-3H,1H3,(H3,6,7,8,9)
InChIKeyXSOMKAMZTMFIOG-UHFFFAOYSA-N
XLogP0.42
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(1H-imidazol-2-yl)ethanimidamide?
The IUPAC name of N'-(1H-imidazol-2-yl)ethanimidamide (CID 142107184) is N'-(1H-imidazol-2-yl)ethanimidamide.
What is the SMILES notation for N'-(1H-imidazol-2-yl)ethanimidamide?
The canonical SMILES for N'-(1H-imidazol-2-yl)ethanimidamide is C/C(N)=N/c1ncc[nH]1.
What is the InChIKey of N'-(1H-imidazol-2-yl)ethanimidamide?
The InChIKey is XSOMKAMZTMFIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-4(6)9-5-7-2-3-8-5/h2-3H,1H3,(H3,6,7,8,9).
What are the key properties of N'-(1H-imidazol-2-yl)ethanimidamide?
N'-(1H-imidazol-2-yl)ethanimidamide has a molecular weight of 124.15 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazol-2-yl)ethanimidamide is sourced from PubChem (CID 142107184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).