1-[2-(4-chlorophenyl)prop-2-enyl]imidazole

C12H11ClN2 — CID 71322821

IUPAC1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
SMILESC=C(Cn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2/c1-10(8-15-7-6-14-9-15)11-2-4-12(13)5-3-11/h2-7,9H,1,8H2
InChIKeySCBZLYHZFYCHRW-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.25
Rot. Bonds3

About 1-[2-(4-chlorophenyl)prop-2-enyl]imidazole

1-[2-(4-chlorophenyl)prop-2-enyl]imidazole (PubChem CID 71322821) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)prop-2-enyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
PubChem CID71322821
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
SMILESC=C(Cn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2/c1-10(8-15-7-6-14-9-15)11-2-4-12(13)5-3-11/h2-7,9H,1,8H2
InChIKeySCBZLYHZFYCHRW-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)prop-2-enyl]imidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)prop-2-enyl]imidazole (CID 71322821) is 1-[2-(4-chlorophenyl)prop-2-enyl]imidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)prop-2-enyl]imidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)prop-2-enyl]imidazole is C=C(Cn1ccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)prop-2-enyl]imidazole?
The InChIKey is SCBZLYHZFYCHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-10(8-15-7-6-14-9-15)11-2-4-12(13)5-3-11/h2-7,9H,1,8H2.
What are the key properties of 1-[2-(4-chlorophenyl)prop-2-enyl]imidazole?
1-[2-(4-chlorophenyl)prop-2-enyl]imidazole has a molecular weight of 218.69 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)prop-2-enyl]imidazole is sourced from PubChem (CID 71322821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).