1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole

C15H17ClN2O — CID 3007449

IUPAC1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OCCCC)n1ccnc1
InChIInChI=1S/C15H17ClN2O/c1-3-4-9-19-15-6-5-13(16)10-14(15)12(2)18-8-7-17-11-18/h5-8,10-11H,2-4,9H2,1H3
InChIKeyCCSAHKZKNKQIRE-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.23
Rot. Bonds6

About 1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole

1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole (PubChem CID 3007449) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole
PubChem CID3007449
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OCCCC)n1ccnc1
InChIInChI=1S/C15H17ClN2O/c1-3-4-9-19-15-6-5-13(16)10-14(15)12(2)18-8-7-17-11-18/h5-8,10-11H,2-4,9H2,1H3
InChIKeyCCSAHKZKNKQIRE-UHFFFAOYSA-N
XLogP4.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole?
The IUPAC name of 1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole (CID 3007449) is 1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole.
What is the SMILES notation for 1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole?
The canonical SMILES for 1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole is C=C(c1cc(Cl)ccc1OCCCC)n1ccnc1.
What is the InChIKey of 1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole?
The InChIKey is CCSAHKZKNKQIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-4-9-19-15-6-5-13(16)10-14(15)12(2)18-8-7-17-11-18/h5-8,10-11H,2-4,9H2,1H3.
What are the key properties of 1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole?
1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole has a molecular weight of 276.77 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-butoxy-5-chlorophenyl)ethenyl]imidazole is sourced from PubChem (CID 3007449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).