1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine

C15H13Cl2N5O2 — CID 135429817

IUPAC1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C15H13Cl2N5O2/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)/b19-7+,20-8+
InChIKeyIGWAWNDBEPRQQY-OKXCLTPOSA-N
MW366.21 g/mol
LogP2.68
Rot. Bonds4

About 1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine

1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 135429817) has the molecular formula C15H13Cl2N5O2 and a molecular weight of 366.21 g/mol. Its IUPAC name is 1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
PubChem CID135429817
Molecular FormulaC15H13Cl2N5O2
Molecular Weight366.21 g/mol
Exact Mass365.04
IUPAC Name1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C15H13Cl2N5O2/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)/b19-7+,20-8+
InChIKeyIGWAWNDBEPRQQY-OKXCLTPOSA-N
XLogP2.68
TPSA115.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine (CID 135429817) is 1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine is N/C(=N\N=C\c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is IGWAWNDBEPRQQY-OKXCLTPOSA-N. The full InChI is InChI=1S/C15H13Cl2N5O2/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)/b19-7+,20-8+.
What are the key properties of 1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine?
1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine has a molecular weight of 366.21 g/mol, XLogP of 2.68, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 135429817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).