(E)-1,4-dihydroimidazol-5-ylidenemethanamine

C4H7N3 — CID 70120460

IUPAC(E)-1,4-dihydroimidazol-5-ylidenemethanamine
SMILESN/C=C1\CN=CN1
InChIInChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h1,3H,2,5H2,(H,6,7)/b4-1+
InChIKeyNASOVFGFHLEZEM-DAFODLJHSA-N
MW97.12 g/mol
LogP-0.58
Rot. Bonds

About (E)-1,4-dihydroimidazol-5-ylidenemethanamine

(E)-1,4-dihydroimidazol-5-ylidenemethanamine (PubChem CID 70120460) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is (E)-1,4-dihydroimidazol-5-ylidenemethanamine.

Molecular Properties

Compound Name(E)-1,4-dihydroimidazol-5-ylidenemethanamine
PubChem CID70120460
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name(E)-1,4-dihydroimidazol-5-ylidenemethanamine
SMILESN/C=C1\CN=CN1
InChIInChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h1,3H,2,5H2,(H,6,7)/b4-1+
InChIKeyNASOVFGFHLEZEM-DAFODLJHSA-N
XLogP-0.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-1,4-dihydroimidazol-5-ylidenemethanamine?
The IUPAC name of (E)-1,4-dihydroimidazol-5-ylidenemethanamine (CID 70120460) is (E)-1,4-dihydroimidazol-5-ylidenemethanamine.
What is the SMILES notation for (E)-1,4-dihydroimidazol-5-ylidenemethanamine?
The canonical SMILES for (E)-1,4-dihydroimidazol-5-ylidenemethanamine is N/C=C1\CN=CN1.
What is the InChIKey of (E)-1,4-dihydroimidazol-5-ylidenemethanamine?
The InChIKey is NASOVFGFHLEZEM-DAFODLJHSA-N. The full InChI is InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h1,3H,2,5H2,(H,6,7)/b4-1+.
What are the key properties of (E)-1,4-dihydroimidazol-5-ylidenemethanamine?
(E)-1,4-dihydroimidazol-5-ylidenemethanamine has a molecular weight of 97.12 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dihydroimidazol-5-ylidenemethanamine is sourced from PubChem (CID 70120460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).