(E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine

C16H15N3O — CID 134837167

IUPAC(E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine
SMILESC/C(=N\OCn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-13(14-7-3-2-4-8-14)18-20-12-19-11-17-15-9-5-6-10-16(15)19/h2-11H,12H2,1H3/b18-13+
InChIKeyBZJLZHWGDBLKQI-QGOAFFKASA-N
MW265.32 g/mol
LogP3.43
Rot. Bonds4

About (E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine

(E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine (PubChem CID 134837167) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine.

Molecular Properties

Compound Name(E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine
PubChem CID134837167
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine
SMILESC/C(=N\OCn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-13(14-7-3-2-4-8-14)18-20-12-19-11-17-15-9-5-6-10-16(15)19/h2-11H,12H2,1H3/b18-13+
InChIKeyBZJLZHWGDBLKQI-QGOAFFKASA-N
XLogP3.43
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(phenylsulfanylmethyl)benzimidazole
CID 1042754
(NE)-N-[4-(benzimidazol-1-yl)butan-2-ylidene]hydroxylamine
CID 13267878
1-(benzimidazol-1-ylmethoxy)ethyl-trimethylsilane
CID 18333330
potassium benzimidazol-1-ylmethyl(trifluoro)boranuide
CID 63702827
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
O-methyl 2-(benzimidazol-1-yl)ethanethioate
CID 88781568
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
CID 88980385
1-(benzimidazol-1-yl)-3-methylbut-3-en-2-ol
CID 105110467
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
1-(butylsulfanylmethyl)benzimidazole
CID 4304990
1-(cyclopropylmethoxymethyl)benzimidazole
CID 90028770

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine?
The IUPAC name of (E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine (CID 134837167) is (E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine.
What is the SMILES notation for (E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine?
The canonical SMILES for (E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine is C/C(=N\OCn1cnc2ccccc21)c1ccccc1.
What is the InChIKey of (E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine?
The InChIKey is BZJLZHWGDBLKQI-QGOAFFKASA-N. The full InChI is InChI=1S/C16H15N3O/c1-13(14-7-3-2-4-8-14)18-20-12-19-11-17-15-9-5-6-10-16(15)19/h2-11H,12H2,1H3/b18-13+.
What are the key properties of (E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine?
(E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine has a molecular weight of 265.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzimidazol-1-ylmethoxy)-1-phenylethanimine is sourced from PubChem (CID 134837167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).