4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol

C26H19ClN2O2 — CID 136825167

IUPAC4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol
SMILESOc1ccccc1/C=N\c1ccccc1/N=C(\c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C26H19ClN2O2/c27-20-14-15-25(31)21(16-20)26(18-8-2-1-3-9-18)29-23-12-6-5-11-22(23)28-17-19-10-4-7-13-24(19)30/h1-17,30-31H/b28-17-,29-26+
InChIKeyVSDBNLDPLACGTG-YZOYVZCHSA-N
MW426.90 g/mol
LogP6.67
Rot. Bonds5

About 4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol

4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol (PubChem CID 136825167) has the molecular formula C26H19ClN2O2 and a molecular weight of 426.90 g/mol. Its IUPAC name is 4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol
PubChem CID136825167
Molecular FormulaC26H19ClN2O2
Molecular Weight426.90 g/mol
Exact Mass426.11
IUPAC Name4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol
SMILESOc1ccccc1/C=N\c1ccccc1/N=C(\c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C26H19ClN2O2/c27-20-14-15-25(31)21(16-20)26(18-8-2-1-3-9-18)29-23-12-6-5-11-22(23)28-17-19-10-4-7-13-24(19)30/h1-17,30-31H/b28-17-,29-26+
InChIKeyVSDBNLDPLACGTG-YZOYVZCHSA-N
XLogP6.67
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol (CID 136825167) is 4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol is Oc1ccccc1/C=N\c1ccccc1/N=C(\c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol?
The InChIKey is VSDBNLDPLACGTG-YZOYVZCHSA-N. The full InChI is InChI=1S/C26H19ClN2O2/c27-20-14-15-25(31)21(16-20)26(18-8-2-1-3-9-18)29-23-12-6-5-11-22(23)28-17-19-10-4-7-13-24(19)30/h1-17,30-31H/b28-17-,29-26+.
What are the key properties of 4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol?
4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol has a molecular weight of 426.90 g/mol, XLogP of 6.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol is sourced from PubChem (CID 136825167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).