2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine

C17H23N3O — CID 79341716

IUPAC2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1ccc(-n2ccnc2)cc1)CNCCOC
InChIInChI=1S/C17H23N3O/c1-3-15(13-18-9-11-21-2)12-16-4-6-17(7-5-16)20-10-8-19-14-20/h4-8,10,12,14,18H,3,9,11,13H2,1-2H3
InChIKeyUTMKYLRPMIJNKX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.90
Rot. Bonds8

About 2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine

2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 79341716) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
PubChem CID79341716
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1ccc(-n2ccnc2)cc1)CNCCOC
InChIInChI=1S/C17H23N3O/c1-3-15(13-18-9-11-21-2)12-16-4-6-17(7-5-16)20-10-8-19-14-20/h4-8,10,12,14,18H,3,9,11,13H2,1-2H3
InChIKeyUTMKYLRPMIJNKX-UHFFFAOYSA-N
XLogP2.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.90
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 2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine (CID 79341716) is 2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine is CCC(=Cc1ccc(-n2ccnc2)cc1)CNCCOC.
What is the InChIKey of 2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is UTMKYLRPMIJNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-15(13-18-9-11-21-2)12-16-4-6-17(7-5-16)20-10-8-19-14-20/h4-8,10,12,14,18H,3,9,11,13H2,1-2H3.
What are the key properties of 2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 79341716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).