1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine

C16H23N3O — CID 106556263

IUPAC1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-16(2,3)13-5-7-14(8-6-13)19-11-9-17-15(19)18-10-12-20-4/h5-9,11H,10,12H2,1-4H3,(H,17,18)
InChIKeyQMDHPMPMFLIQMN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.23
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine

1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106556263) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
PubChem CID106556263
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-16(2,3)13-5-7-14(8-6-13)19-11-9-17-15(19)18-10-12-20-4/h5-9,11H,10,12H2,1-4H3,(H,17,18)
InChIKeyQMDHPMPMFLIQMN-UHFFFAOYSA-N
XLogP3.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.23
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 1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine (CID 106556263) is 1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine is COCCNc1nccn1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is QMDHPMPMFLIQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)13-5-7-14(8-6-13)19-11-9-17-15(19)18-10-12-20-4/h5-9,11H,10,12H2,1-4H3,(H,17,18).
What are the key properties of 1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106556263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).