2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol

C21H18N2O — CID 135775332

IUPAC2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\N=C(c1ccccc1)c1ccccc1)c1ccccc1O
InChIInChI=1S/C21H18N2O/c1-16(19-14-8-9-15-20(19)24)22-23-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,24H,1H3/b22-16+
InChIKeyWSBOMNNPCCTUAD-CJLVFECKSA-N
MW314.39 g/mol
LogP4.65
Rot. Bonds4

About 2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol

2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol (PubChem CID 135775332) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
PubChem CID135775332
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\N=C(c1ccccc1)c1ccccc1)c1ccccc1O
InChIInChI=1S/C21H18N2O/c1-16(19-14-8-9-15-20(19)24)22-23-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,24H,1H3/b22-16+
InChIKeyWSBOMNNPCCTUAD-CJLVFECKSA-N
XLogP4.65
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol (CID 135775332) is 2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol is C/C(=N\N=C(c1ccccc1)c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol?
The InChIKey is WSBOMNNPCCTUAD-CJLVFECKSA-N. The full InChI is InChI=1S/C21H18N2O/c1-16(19-14-8-9-15-20(19)24)22-23-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,24H,1H3/b22-16+.
What are the key properties of 2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol?
2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol has a molecular weight of 314.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135775332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).