2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide

C16H15IN2O — CID 154735089

IUPAC2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide
SMILESCN1C(=C/C=N/c2ccccc2)Oc2ccccc21.I
InChIInChI=1S/C16H14N2O.HI/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13;/h2-12H,1H3;1H/b16-11?,17-12+;
InChIKeyVNSBKPUDNWRFJU-FJYJEXKQSA-N
MW378.21 g/mol
LogP4.38
Rot. Bonds2

About 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide

2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide (PubChem CID 154735089) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide.

Molecular Properties

Compound Name2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide
PubChem CID154735089
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC Name2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide
SMILESCN1C(=C/C=N/c2ccccc2)Oc2ccccc21.I
InChIInChI=1S/C16H14N2O.HI/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13;/h2-12H,1H3;1H/b16-11?,17-12+;
InChIKeyVNSBKPUDNWRFJU-FJYJEXKQSA-N
XLogP4.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide?
The IUPAC name of 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide (CID 154735089) is 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide.
What is the SMILES notation for 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide?
The canonical SMILES for 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide is CN1C(=C/C=N/c2ccccc2)Oc2ccccc21.I.
What is the InChIKey of 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide?
The InChIKey is VNSBKPUDNWRFJU-FJYJEXKQSA-N. The full InChI is InChI=1S/C16H14N2O.HI/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13;/h2-12H,1H3;1H/b16-11?,17-12+;.
What are the key properties of 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide?
2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide has a molecular weight of 378.21 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide is sourced from PubChem (CID 154735089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).