[4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine

C16H25N3O — CID 118130136

IUPAC[4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine
SMILESCC(C)(C)OCCN1C=CN(c2ccc(CN)cc2)C1
InChIInChI=1S/C16H25N3O/c1-16(2,3)20-11-10-18-8-9-19(13-18)15-6-4-14(12-17)5-7-15/h4-9H,10-13,17H2,1-3H3
InChIKeyJBBHTOVGXACADZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.51
Rot. Bonds5

About [4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine

[4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine (PubChem CID 118130136) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine
PubChem CID118130136
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine
SMILESCC(C)(C)OCCN1C=CN(c2ccc(CN)cc2)C1
InChIInChI=1S/C16H25N3O/c1-16(2,3)20-11-10-18-8-9-19(13-18)15-6-4-14(12-17)5-7-15/h4-9H,10-13,17H2,1-3H3
InChIKeyJBBHTOVGXACADZ-UHFFFAOYSA-N
XLogP2.51
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine?
The IUPAC name of [4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine (CID 118130136) is [4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine is CC(C)(C)OCCN1C=CN(c2ccc(CN)cc2)C1.
What is the InChIKey of [4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine?
The InChIKey is JBBHTOVGXACADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)20-11-10-18-8-9-19(13-18)15-6-4-14(12-17)5-7-15/h4-9H,10-13,17H2,1-3H3.
What are the key properties of [4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine?
[4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2H-imidazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 118130136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).