2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide

C11H9Cl3N4 — CID 169369764

IUPAC2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(-n2cnc(Cl)c2Cl)cc1
InChIInChI=1S/C11H9Cl3N4/c12-5-9(15)17-7-1-3-8(4-2-7)18-6-16-10(13)11(18)14/h1-4,6H,5H2,(H2,15,17)
InChIKeyCJYBBDHYZWACRE-UHFFFAOYSA-N
MW303.58 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide

2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide (PubChem CID 169369764) has the molecular formula C11H9Cl3N4 and a molecular weight of 303.58 g/mol. Its IUPAC name is 2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide
PubChem CID169369764
Molecular FormulaC11H9Cl3N4
Molecular Weight303.58 g/mol
Exact Mass301.99
IUPAC Name2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(-n2cnc(Cl)c2Cl)cc1
InChIInChI=1S/C11H9Cl3N4/c12-5-9(15)17-7-1-3-8(4-2-7)18-6-16-10(13)11(18)14/h1-4,6H,5H2,(H2,15,17)
InChIKeyCJYBBDHYZWACRE-UHFFFAOYSA-N
XLogP3.41
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide (CID 169369764) is 2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(-n2cnc(Cl)c2Cl)cc1.
What is the InChIKey of 2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide?
The InChIKey is CJYBBDHYZWACRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4/c12-5-9(15)17-7-1-3-8(4-2-7)18-6-16-10(13)11(18)14/h1-4,6H,5H2,(H2,15,17).
What are the key properties of 2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide?
2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide has a molecular weight of 303.58 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]ethanimidamide is sourced from PubChem (CID 169369764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).