1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride

C15H14Cl3N5O2 — CID 135422288

IUPAC1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.N/C(=N/N=C/c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O
InChIInChI=1S/C15H13Cl2N5O2.ClH/c16-11-1-3-13(23)9(5-11)7-19-21-15(18)22-20-8-10-6-12(17)2-4-14(10)24;/h1-8,23-24H,(H3,18,21,22);1H/b19-7-,20-8+;
InChIKeyDGPYOKYGTWGMCT-WOFKGSFWSA-N
MW402.67 g/mol
LogP3.10
Rot. Bonds4

About 1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride

1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 135422288) has the molecular formula C15H14Cl3N5O2 and a molecular weight of 402.67 g/mol. Its IUPAC name is 1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride
PubChem CID135422288
Molecular FormulaC15H14Cl3N5O2
Molecular Weight402.67 g/mol
Exact Mass401.02
IUPAC Name1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.N/C(=N/N=C/c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O
InChIInChI=1S/C15H13Cl2N5O2.ClH/c16-11-1-3-13(23)9(5-11)7-19-21-15(18)22-20-8-10-6-12(17)2-4-14(10)24;/h1-8,23-24H,(H3,18,21,22);1H/b19-7-,20-8+;
InChIKeyDGPYOKYGTWGMCT-WOFKGSFWSA-N
XLogP3.10
TPSA115.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.67
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-Bis(salicylidene)carbohydrazide
CID 96015
Bissalicylidene thiocarbohydrazide
CID 3446799
5-Chloro-2-hydroxybenzaldehyde thiosemicarbazone
CID 135445342
5-Chloro-salicylaldehyde-guanylhydrazone
CID 248399
2-[(5-Amino-tetrazol-1-ylimino)-methyl]-4-chloro-phenol
CID 135537509
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135438167
1,3-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea
CID 135408529
2,2'-Bis[(5-chloro-2-hydroxyphenyl)methylene]-carbonic Dihydrazide
CID 135527074
N'',N'''-Bis[(3,5-dichloro-2-hydroxyphenyl)methylene]carbonic dihydrazide
CID 135533439
N,N'-bis(5-chloro-2-hydroxybenzylidene)-1,3-propylenediamine
CID 258807
n,n'-Bis(5-chlorosalicylidene)ethylenediamine
CID 375851
(1E)-5-chloro-2-hydroxy-benzaldehyde hydrazone
CID 135715621

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride (CID 135422288) is 1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride is Cl.N/C(=N/N=C/c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O.
What is the InChIKey of 1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is DGPYOKYGTWGMCT-WOFKGSFWSA-N. The full InChI is InChI=1S/C15H13Cl2N5O2.ClH/c16-11-1-3-13(23)9(5-11)7-19-21-15(18)22-20-8-10-6-12(17)2-4-14(10)24;/h1-8,23-24H,(H3,18,21,22);1H/b19-7-,20-8+;.
What are the key properties of 1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride?
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 402.67 g/mol, XLogP of 3.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 135422288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).