2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole

C18H18N2O — CID 174606472

IUPAC2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole
SMILESC(=Cc1ccc(OCC2=NCCN2)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-2-4-15(5-3-1)6-7-16-8-10-17(11-9-16)21-14-18-19-12-13-20-18/h1-11H,12-14H2,(H,19,20)
InChIKeyVFALQGLITMXSHC-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.24
Rot. Bonds5

About 2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole

2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 174606472) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole
PubChem CID174606472
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole
SMILESC(=Cc1ccc(OCC2=NCCN2)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-2-4-15(5-3-1)6-7-16-8-10-17(11-9-16)21-14-18-19-12-13-20-18/h1-11H,12-14H2,(H,19,20)
InChIKeyVFALQGLITMXSHC-UHFFFAOYSA-N
XLogP3.24
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole (CID 174606472) is 2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole is C(=Cc1ccc(OCC2=NCCN2)cc1)c1ccccc1.
What is the InChIKey of 2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is VFALQGLITMXSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-4-15(5-3-1)6-7-16-8-10-17(11-9-16)21-14-18-19-12-13-20-18/h1-11H,12-14H2,(H,19,20).
What are the key properties of 2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole?
2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 278.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 174606472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).