2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine

C7H12N4 — CID 142148025

IUPAC2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine
SMILES[H]/N=C/CN1C=CN(C/C=N/[H])C1
InChIInChI=1S/C7H12N4/c8-1-3-10-5-6-11(7-10)4-2-9/h1-2,5-6,8-9H,3-4,7H2/b8-1+,9-2+
InChIKeyPJHOOSQDPCIQGA-OVGULLLQSA-N
MW152.20 g/mol
LogP0.33
Rot. Bonds4

About 2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine

2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine (PubChem CID 142148025) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine.

Molecular Properties

Compound Name2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine
PubChem CID142148025
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine
SMILES[H]/N=C/CN1C=CN(C/C=N/[H])C1
InChIInChI=1S/C7H12N4/c8-1-3-10-5-6-11(7-10)4-2-9/h1-2,5-6,8-9H,3-4,7H2/b8-1+,9-2+
InChIKeyPJHOOSQDPCIQGA-OVGULLLQSA-N
XLogP0.33
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine?
The IUPAC name of 2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine (CID 142148025) is 2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine.
What is the SMILES notation for 2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine?
The canonical SMILES for 2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine is [H]/N=C/CN1C=CN(C/C=N/[H])C1.
What is the InChIKey of 2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine?
The InChIKey is PJHOOSQDPCIQGA-OVGULLLQSA-N. The full InChI is InChI=1S/C7H12N4/c8-1-3-10-5-6-11(7-10)4-2-9/h1-2,5-6,8-9H,3-4,7H2/b8-1+,9-2+.
What are the key properties of 2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine?
2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine has a molecular weight of 152.20 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-iminoethyl)-2H-imidazol-1-yl]ethanimine is sourced from PubChem (CID 142148025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).