1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole

C14H16N2O2 — CID 27243143

IUPAC1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole
SMILESCOc1ccccc1OC/C=C/Cn1ccnc1
InChIInChI=1S/C14H16N2O2/c1-17-13-6-2-3-7-14(13)18-11-5-4-9-16-10-8-15-12-16/h2-8,10,12H,9,11H2,1H3/b5-4+
InChIKeyKHKWNCOFQJUJDT-SNAWJCMRSA-N
MW244.29 g/mol
LogP2.53
Rot. Bonds6

About 1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole

1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole (PubChem CID 27243143) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole
PubChem CID27243143
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole
SMILESCOc1ccccc1OC/C=C/Cn1ccnc1
InChIInChI=1S/C14H16N2O2/c1-17-13-6-2-3-7-14(13)18-11-5-4-9-16-10-8-15-12-16/h2-8,10,12H,9,11H2,1H3/b5-4+
InChIKeyKHKWNCOFQJUJDT-SNAWJCMRSA-N
XLogP2.53
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole?
The IUPAC name of 1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole (CID 27243143) is 1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole.
What is the SMILES notation for 1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole?
The canonical SMILES for 1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole is COc1ccccc1OC/C=C/Cn1ccnc1.
What is the InChIKey of 1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole?
The InChIKey is KHKWNCOFQJUJDT-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13-6-2-3-7-14(13)18-11-5-4-9-16-10-8-15-12-16/h2-8,10,12H,9,11H2,1H3/b5-4+.
What are the key properties of 1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole?
1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole has a molecular weight of 244.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(2-methoxyphenoxy)but-2-enyl]imidazole is sourced from PubChem (CID 27243143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).