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

C6H10N4 — CID 64523221

IUPACN'-(1H-imidazol-2-ylmethyl)ethanimidamide
SMILESC/C(N)=N\Cc1ncc[nH]1
InChIInChI=1S/C6H10N4/c1-5(7)10-4-6-8-2-3-9-6/h2-3H,4H2,1H3,(H2,7,10)(H,8,9)
InChIKeyJDWNCUYOHGLPBQ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.29
Rot. Bonds2

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

N'-(1H-imidazol-2-ylmethyl)ethanimidamide (PubChem CID 64523221) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is N'-(1H-imidazol-2-ylmethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(1H-imidazol-2-ylmethyl)ethanimidamide
PubChem CID64523221
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC NameN'-(1H-imidazol-2-ylmethyl)ethanimidamide
SMILESC/C(N)=N\Cc1ncc[nH]1
InChIInChI=1S/C6H10N4/c1-5(7)10-4-6-8-2-3-9-6/h2-3H,4H2,1H3,(H2,7,10)(H,8,9)
InChIKeyJDWNCUYOHGLPBQ-UHFFFAOYSA-N
XLogP0.29
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.29
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-ylmethyl)ethanimidamide?
The IUPAC name of N'-(1H-imidazol-2-ylmethyl)ethanimidamide (CID 64523221) is N'-(1H-imidazol-2-ylmethyl)ethanimidamide.
What is the SMILES notation for N'-(1H-imidazol-2-ylmethyl)ethanimidamide?
The canonical SMILES for N'-(1H-imidazol-2-ylmethyl)ethanimidamide is C/C(N)=N\Cc1ncc[nH]1.
What is the InChIKey of N'-(1H-imidazol-2-ylmethyl)ethanimidamide?
The InChIKey is JDWNCUYOHGLPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-5(7)10-4-6-8-2-3-9-6/h2-3H,4H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of N'-(1H-imidazol-2-ylmethyl)ethanimidamide?
N'-(1H-imidazol-2-ylmethyl)ethanimidamide has a molecular weight of 138.17 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazol-2-ylmethyl)ethanimidamide is sourced from PubChem (CID 64523221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).