4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol

C26H18Cl2N2O2 — CID 3627789

IUPAC4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
SMILESOc1ccc(Cl)cc1C(=NN=C(c1ccccc1)c1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C26H18Cl2N2O2/c27-19-11-13-23(31)21(15-19)25(17-7-3-1-4-8-17)29-30-26(18-9-5-2-6-10-18)22-16-20(28)12-14-24(22)32/h1-16,31-32H
InChIKeyBPWMSYOEYZNJRJ-UHFFFAOYSA-N
MW461.35 g/mol
LogP6.69
Rot. Bonds5

About 4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol

4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol (PubChem CID 3627789) has the molecular formula C26H18Cl2N2O2 and a molecular weight of 461.35 g/mol. Its IUPAC name is 4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
PubChem CID3627789
Molecular FormulaC26H18Cl2N2O2
Molecular Weight461.35 g/mol
Exact Mass460.07
IUPAC Name4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
SMILESOc1ccc(Cl)cc1C(=NN=C(c1ccccc1)c1cc(Cl)ccc1O)c1ccccc1
InChIInChI=1S/C26H18Cl2N2O2/c27-19-11-13-23(31)21(15-19)25(17-7-3-1-4-8-17)29-30-26(18-9-5-2-6-10-18)22-16-20(28)12-14-24(22)32/h1-16,31-32H
InChIKeyBPWMSYOEYZNJRJ-UHFFFAOYSA-N
XLogP6.69
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.35
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride
CID 88525576
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 3406457
2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol
CID 136722434
(E)-3-[[2-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]phenyl]iminomethyl]-4-hydroxypent-3-en-2-one
CID 177427831
2-[(E)-N-[(E)-[(2-hydroxy-5-pentoxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]-4-pentoxyphenol
CID 135589320
4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol
CID 3029859
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
CID 135775332
4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 137013229
4-fluoro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 138548283
4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol
CID 135598763

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol (CID 3627789) is 4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol is Oc1ccc(Cl)cc1C(=NN=C(c1ccccc1)c1cc(Cl)ccc1O)c1ccccc1.
What is the InChIKey of 4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol?
The InChIKey is BPWMSYOEYZNJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N2O2/c27-19-11-13-23(31)21(15-19)25(17-7-3-1-4-8-17)29-30-26(18-9-5-2-6-10-18)22-16-20(28)12-14-24(22)32/h1-16,31-32H.
What are the key properties of 4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol?
4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol has a molecular weight of 461.35 g/mol, XLogP of 6.69, 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-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol is sourced from PubChem (CID 3627789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).