1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole

C19H17ClN2O — CID 3007473

IUPAC1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OCCc1ccccc1)n1ccnc1
InChIInChI=1S/C19H17ClN2O/c1-15(22-11-10-21-14-22)18-13-17(20)7-8-19(18)23-12-9-16-5-3-2-4-6-16/h2-8,10-11,13-14H,1,9,12H2
InChIKeyUAXBUPMGKAFCJS-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.68
Rot. Bonds6

About 1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole

1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole (PubChem CID 3007473) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole
PubChem CID3007473
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OCCc1ccccc1)n1ccnc1
InChIInChI=1S/C19H17ClN2O/c1-15(22-11-10-21-14-22)18-13-17(20)7-8-19(18)23-12-9-16-5-3-2-4-6-16/h2-8,10-11,13-14H,1,9,12H2
InChIKeyUAXBUPMGKAFCJS-UHFFFAOYSA-N
XLogP4.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole (CID 3007473) is 1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole is C=C(c1cc(Cl)ccc1OCCc1ccccc1)n1ccnc1.
What is the InChIKey of 1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole?
The InChIKey is UAXBUPMGKAFCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-15(22-11-10-21-14-22)18-13-17(20)7-8-19(18)23-12-9-16-5-3-2-4-6-16/h2-8,10-11,13-14H,1,9,12H2.
What are the key properties of 1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole?
1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole has a molecular weight of 324.81 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-chloro-2-(2-phenylethoxy)phenyl]ethenyl]imidazole is sourced from PubChem (CID 3007473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).