5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine

C17H25N3O — CID 71564796

IUPAC5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine
SMILESCCOCCn1c(-c2ccc(C(C)(C)C)cc2)cnc1N
InChIInChI=1S/C17H25N3O/c1-5-21-11-10-20-15(12-19-16(20)18)13-6-8-14(9-7-13)17(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H2,18,19)
InChIKeyWBSGRUXGPKIIRE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.47
Rot. Bonds5

About 5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine

5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine (PubChem CID 71564796) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine
PubChem CID71564796
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine
SMILESCCOCCn1c(-c2ccc(C(C)(C)C)cc2)cnc1N
InChIInChI=1S/C17H25N3O/c1-5-21-11-10-20-15(12-19-16(20)18)13-6-8-14(9-7-13)17(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H2,18,19)
InChIKeyWBSGRUXGPKIIRE-UHFFFAOYSA-N
XLogP3.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.47
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-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine (CID 71564796) is 5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine is CCOCCn1c(-c2ccc(C(C)(C)C)cc2)cnc1N.
What is the InChIKey of 5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine?
The InChIKey is WBSGRUXGPKIIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-21-11-10-20-15(12-19-16(20)18)13-6-8-14(9-7-13)17(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H2,18,19).
What are the key properties of 5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine?
5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine is sourced from PubChem (CID 71564796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).