5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole

C13H12Cl2N2 — CID 54549887

IUPAC5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole
SMILESClc1cccc(Cl)c1CCC=Cc1cnc[nH]1
InChIInChI=1S/C13H12Cl2N2/c14-12-6-3-7-13(15)11(12)5-2-1-4-10-8-16-9-17-10/h1,3-4,6-9H,2,5H2,(H,16,17)
InChIKeyZJEBCQAJUOFDBR-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.36
Rot. Bonds4

About 5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole

5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole (PubChem CID 54549887) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole.

Molecular Properties

Compound Name5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole
PubChem CID54549887
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole
SMILESClc1cccc(Cl)c1CCC=Cc1cnc[nH]1
InChIInChI=1S/C13H12Cl2N2/c14-12-6-3-7-13(15)11(12)5-2-1-4-10-8-16-9-17-10/h1,3-4,6-9H,2,5H2,(H,16,17)
InChIKeyZJEBCQAJUOFDBR-UHFFFAOYSA-N
XLogP4.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole?
The IUPAC name of 5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole (CID 54549887) is 5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole.
What is the SMILES notation for 5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole?
The canonical SMILES for 5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole is Clc1cccc(Cl)c1CCC=Cc1cnc[nH]1.
What is the InChIKey of 5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole?
The InChIKey is ZJEBCQAJUOFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-12-6-3-7-13(15)11(12)5-2-1-4-10-8-16-9-17-10/h1,3-4,6-9H,2,5H2,(H,16,17).
What are the key properties of 5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole?
5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole has a molecular weight of 267.16 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole is sourced from PubChem (CID 54549887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).