(E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine

C10H9N3 — CID 22147335

IUPAC(E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine
SMILESC(=N/c1ncc[nH]1)\c1ccccc1
InChIInChI=1S/C10H9N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-8H,(H,11,12)/b13-8+
InChIKeyFEWTWEVBJYHALA-MDWZMJQESA-N
MW171.20 g/mol
LogP2.16
Rot. Bonds2

About (E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine

(E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine (PubChem CID 22147335) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine
PubChem CID22147335
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name(E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine
SMILESC(=N/c1ncc[nH]1)\c1ccccc1
InChIInChI=1S/C10H9N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-8H,(H,11,12)/b13-8+
InChIKeyFEWTWEVBJYHALA-MDWZMJQESA-N
XLogP2.16
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine?
The IUPAC name of (E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine (CID 22147335) is (E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine.
What is the SMILES notation for (E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine?
The canonical SMILES for (E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine is C(=N/c1ncc[nH]1)\c1ccccc1.
What is the InChIKey of (E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine?
The InChIKey is FEWTWEVBJYHALA-MDWZMJQESA-N. The full InChI is InChI=1S/C10H9N3/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-8H,(H,11,12)/b13-8+.
What are the key properties of (E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine?
(E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine has a molecular weight of 171.20 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1H-imidazol-2-yl)-1-phenylmethanimine is sourced from PubChem (CID 22147335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).