di(imidazol-1-yl)methanimine

C7H7N5 — CID 11355654

IUPACdi(imidazol-1-yl)methanimine
SMILES[H]N=C(n1ccnc1)n1ccnc1
InChIInChI=1S/C7H7N5/c8-7(11-3-1-9-5-11)12-4-2-10-6-12/h1-6,8H
InChIKeyFKGQRXQOODICAT-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.41
Rot. Bonds

About di(imidazol-1-yl)methanimine

di(imidazol-1-yl)methanimine (PubChem CID 11355654) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is di(imidazol-1-yl)methanimine.

Molecular Properties

Compound Namedi(imidazol-1-yl)methanimine
PubChem CID11355654
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Namedi(imidazol-1-yl)methanimine
SMILES[H]N=C(n1ccnc1)n1ccnc1
InChIInChI=1S/C7H7N5/c8-7(11-3-1-9-5-11)12-4-2-10-6-12/h1-6,8H
InChIKeyFKGQRXQOODICAT-UHFFFAOYSA-N
XLogP0.41
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 di(imidazol-1-yl)methanimine?
The IUPAC name of di(imidazol-1-yl)methanimine (CID 11355654) is di(imidazol-1-yl)methanimine.
What is the SMILES notation for di(imidazol-1-yl)methanimine?
The canonical SMILES for di(imidazol-1-yl)methanimine is [H]N=C(n1ccnc1)n1ccnc1.
What is the InChIKey of di(imidazol-1-yl)methanimine?
The InChIKey is FKGQRXQOODICAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-7(11-3-1-9-5-11)12-4-2-10-6-12/h1-6,8H.
What are the key properties of di(imidazol-1-yl)methanimine?
di(imidazol-1-yl)methanimine has a molecular weight of 161.17 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for di(imidazol-1-yl)methanimine is sourced from PubChem (CID 11355654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).