1-[1-(4-chlorophenyl)ethenyl]imidazole

C11H9ClN2 — CID 3007435

IUPAC1-[1-(4-chlorophenyl)ethenyl]imidazole
SMILESC=C(c1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C11H9ClN2/c1-9(14-7-6-13-8-14)10-2-4-11(12)5-3-10/h2-8H,1H2
InChIKeyBNLOCOXFGGZLJW-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.06
Rot. Bonds2

About 1-[1-(4-chlorophenyl)ethenyl]imidazole

1-[1-(4-chlorophenyl)ethenyl]imidazole (PubChem CID 3007435) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethenyl]imidazole
PubChem CID3007435
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name1-[1-(4-chlorophenyl)ethenyl]imidazole
SMILESC=C(c1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C11H9ClN2/c1-9(14-7-6-13-8-14)10-2-4-11(12)5-3-10/h2-8H,1H2
InChIKeyBNLOCOXFGGZLJW-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethenyl]imidazole?
The IUPAC name of 1-[1-(4-chlorophenyl)ethenyl]imidazole (CID 3007435) is 1-[1-(4-chlorophenyl)ethenyl]imidazole.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethenyl]imidazole?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethenyl]imidazole is C=C(c1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethenyl]imidazole?
The InChIKey is BNLOCOXFGGZLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-9(14-7-6-13-8-14)10-2-4-11(12)5-3-10/h2-8H,1H2.
What are the key properties of 1-[1-(4-chlorophenyl)ethenyl]imidazole?
1-[1-(4-chlorophenyl)ethenyl]imidazole has a molecular weight of 204.66 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethenyl]imidazole is sourced from PubChem (CID 3007435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).