1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole

C12H11ClN2O — CID 3007444

IUPAC1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole
SMILESC=C(c1ccc(Cl)cc1OC)n1ccnc1
InChIInChI=1S/C12H11ClN2O/c1-9(15-6-5-14-8-15)11-4-3-10(13)7-12(11)16-2/h3-8H,1H2,2H3
InChIKeyXDCAHIRQFZBTOH-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.06
Rot. Bonds3

About 1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole

1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole (PubChem CID 3007444) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole
PubChem CID3007444
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole
SMILESC=C(c1ccc(Cl)cc1OC)n1ccnc1
InChIInChI=1S/C12H11ClN2O/c1-9(15-6-5-14-8-15)11-4-3-10(13)7-12(11)16-2/h3-8H,1H2,2H3
InChIKeyXDCAHIRQFZBTOH-UHFFFAOYSA-N
XLogP3.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole?
The IUPAC name of 1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole (CID 3007444) is 1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole.
What is the SMILES notation for 1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole?
The canonical SMILES for 1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole is C=C(c1ccc(Cl)cc1OC)n1ccnc1.
What is the InChIKey of 1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole?
The InChIKey is XDCAHIRQFZBTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9(15-6-5-14-8-15)11-4-3-10(13)7-12(11)16-2/h3-8H,1H2,2H3.
What are the key properties of 1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole?
1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole has a molecular weight of 234.69 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-2-methoxyphenyl)ethenyl]imidazole is sourced from PubChem (CID 3007444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).