1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine

C10H13ClN4O2 — CID 118626383

IUPAC1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine
SMILES[H]/N=C(\N)N(/N=C/c1ccccc1Cl)OCCO
InChIInChI=1S/C10H13ClN4O2/c11-9-4-2-1-3-8(9)7-14-15(10(12)13)17-6-5-16/h1-4,7,16H,5-6H2,(H3,12,13)/b14-7+
InChIKeyHJIMGFYWSMQXIX-VGOFMYFVSA-N
MW256.69 g/mol
LogP0.79
Rot. Bonds5

About 1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine

1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine (PubChem CID 118626383) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine.

Molecular Properties

Compound Name1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine
PubChem CID118626383
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine
SMILES[H]/N=C(\N)N(/N=C/c1ccccc1Cl)OCCO
InChIInChI=1S/C10H13ClN4O2/c11-9-4-2-1-3-8(9)7-14-15(10(12)13)17-6-5-16/h1-4,7,16H,5-6H2,(H3,12,13)/b14-7+
InChIKeyHJIMGFYWSMQXIX-VGOFMYFVSA-N
XLogP0.79
TPSA94.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine?
The IUPAC name of 1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine (CID 118626383) is 1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine.
What is the SMILES notation for 1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine?
The canonical SMILES for 1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine is [H]/N=C(\N)N(/N=C/c1ccccc1Cl)OCCO.
What is the InChIKey of 1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine?
The InChIKey is HJIMGFYWSMQXIX-VGOFMYFVSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-9-4-2-1-3-8(9)7-14-15(10(12)13)17-6-5-16/h1-4,7,16H,5-6H2,(H3,12,13)/b14-7+.
What are the key properties of 1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine?
1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine has a molecular weight of 256.69 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-chlorophenyl)methylideneamino]-1-(2-hydroxyethoxy)guanidine is sourced from PubChem (CID 118626383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).