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

C20H19ClN2O — CID 3007484

IUPAC1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OC(CC)c1ccccc1)n1ccnc1
InChIInChI=1S/C20H19ClN2O/c1-3-19(16-7-5-4-6-8-16)24-20-10-9-17(21)13-18(20)15(2)23-12-11-22-14-23/h4-14,19H,2-3H2,1H3
InChIKeyHBDSKKLCLAQAKJ-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.59
Rot. Bonds6

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

1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole (PubChem CID 3007484) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole
PubChem CID3007484
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OC(CC)c1ccccc1)n1ccnc1
InChIInChI=1S/C20H19ClN2O/c1-3-19(16-7-5-4-6-8-16)24-20-10-9-17(21)13-18(20)15(2)23-12-11-22-14-23/h4-14,19H,2-3H2,1H3
InChIKeyHBDSKKLCLAQAKJ-UHFFFAOYSA-N
XLogP5.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.59
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-(1-phenylpropoxy)phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole (CID 3007484) is 1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole is C=C(c1cc(Cl)ccc1OC(CC)c1ccccc1)n1ccnc1.
What is the InChIKey of 1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole?
The InChIKey is HBDSKKLCLAQAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-3-19(16-7-5-4-6-8-16)24-20-10-9-17(21)13-18(20)15(2)23-12-11-22-14-23/h4-14,19H,2-3H2,1H3.
What are the key properties of 1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole?
1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole has a molecular weight of 338.84 g/mol, XLogP of 5.59, 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-(1-phenylpropoxy)phenyl]ethenyl]imidazole is sourced from PubChem (CID 3007484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).