5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine

C13H15Cl2N3O — CID 71564795

IUPAC5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine
SMILESCCOCCn1c(-c2ccc(Cl)c(Cl)c2)cnc1N
InChIInChI=1S/C13H15Cl2N3O/c1-2-19-6-5-18-12(8-17-13(18)16)9-3-4-10(14)11(15)7-9/h3-4,7-8H,2,5-6H2,1H3,(H2,16,17)
InChIKeyNJNDEROXLLKXQX-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.48
Rot. Bonds5

About 5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine

5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine (PubChem CID 71564795) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine
PubChem CID71564795
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine
SMILESCCOCCn1c(-c2ccc(Cl)c(Cl)c2)cnc1N
InChIInChI=1S/C13H15Cl2N3O/c1-2-19-6-5-18-12(8-17-13(18)16)9-3-4-10(14)11(15)7-9/h3-4,7-8H,2,5-6H2,1H3,(H2,16,17)
InChIKeyNJNDEROXLLKXQX-UHFFFAOYSA-N
XLogP3.48
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine (CID 71564795) is 5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine is CCOCCn1c(-c2ccc(Cl)c(Cl)c2)cnc1N.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine?
The InChIKey is NJNDEROXLLKXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-2-19-6-5-18-12(8-17-13(18)16)9-3-4-10(14)11(15)7-9/h3-4,7-8H,2,5-6H2,1H3,(H2,16,17).
What are the key properties of 5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine?
5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine has a molecular weight of 300.19 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine is sourced from PubChem (CID 71564795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).