4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol

C18H19Cl2N3O2 — CID 135659273

IUPAC4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/CCNCC/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C18H19Cl2N3O2/c19-15-1-3-17(24)13(9-15)11-22-7-5-21-6-8-23-12-14-10-16(20)2-4-18(14)25/h1-4,9-12,21,24-25H,5-8H2/b22-11+,23-12+
InChIKeyLNRGYDLXJZJWLN-LCHFAGMQSA-N
MW380.28 g/mol
LogP3.53
Rot. Bonds8

About 4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol

4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol (PubChem CID 135659273) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
PubChem CID135659273
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/CCNCC/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C18H19Cl2N3O2/c19-15-1-3-17(24)13(9-15)11-22-7-5-21-6-8-23-12-14-10-16(20)2-4-18(14)25/h1-4,9-12,21,24-25H,5-8H2/b22-11+,23-12+
InChIKeyLNRGYDLXJZJWLN-LCHFAGMQSA-N
XLogP3.53
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol?
The IUPAC name of 4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol (CID 135659273) is 4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/CCNCC/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol?
The InChIKey is LNRGYDLXJZJWLN-LCHFAGMQSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c19-15-1-3-17(24)13(9-15)11-22-7-5-21-6-8-23-12-14-10-16(20)2-4-18(14)25/h1-4,9-12,21,24-25H,5-8H2/b22-11+,23-12+.
What are the key properties of 4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol?
4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol has a molecular weight of 380.28 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol is sourced from PubChem (CID 135659273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).