1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine

C17H17Cl2N5O2 — CID 137055378

IUPAC1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine
SMILESCC(=NN=C(N)NN=C(C)c1ccc(Cl)cc1O)c1ccc(Cl)cc1O
InChIInChI=1S/C17H17Cl2N5O2/c1-9(13-5-3-11(18)7-15(13)25)21-23-17(20)24-22-10(2)14-6-4-12(19)8-16(14)26/h3-8,25-26H,1-2H3,(H3,20,23,24)
InChIKeyLHEDBXQWJUBAHR-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.46
Rot. Bonds4

About 1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine

1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine (PubChem CID 137055378) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine
PubChem CID137055378
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine
SMILESCC(=NN=C(N)NN=C(C)c1ccc(Cl)cc1O)c1ccc(Cl)cc1O
InChIInChI=1S/C17H17Cl2N5O2/c1-9(13-5-3-11(18)7-15(13)25)21-23-17(20)24-22-10(2)14-6-4-12(19)8-16(14)26/h3-8,25-26H,1-2H3,(H3,20,23,24)
InChIKeyLHEDBXQWJUBAHR-UHFFFAOYSA-N
XLogP3.46
TPSA115.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.46
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

1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride
CID 74961259
N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 3406457
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine
CID 140813804
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855
1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276
methyl N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]carbamodithioate
CID 135458125
2-[(E)-1-[5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethylideneamino]guanidine;dihydrochloride
CID 172929445
N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
CID 135554206
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
1,2-bis[1-(4-tert-butylphenyl)ethylideneamino]guanidine
CID 123753114

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine?
The IUPAC name of 1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine (CID 137055378) is 1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine?
The canonical SMILES for 1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine is CC(=NN=C(N)NN=C(C)c1ccc(Cl)cc1O)c1ccc(Cl)cc1O.
What is the InChIKey of 1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine?
The InChIKey is LHEDBXQWJUBAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-9(13-5-3-11(18)7-15(13)25)21-23-17(20)24-22-10(2)14-6-4-12(19)8-16(14)26/h3-8,25-26H,1-2H3,(H3,20,23,24).
What are the key properties of 1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine?
1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine has a molecular weight of 394.26 g/mol, XLogP of 3.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 137055378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).