2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole

C17H11Cl3N2 — CID 67049073

IUPAC2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole
SMILESClc1ccc(C=Cc2ncc(-c3ccc(Cl)cc3Cl)[nH]2)cc1
InChIInChI=1S/C17H11Cl3N2/c18-12-4-1-11(2-5-12)3-8-17-21-10-16(22-17)14-7-6-13(19)9-15(14)20/h1-10H,(H,21,22)
InChIKeyMJOHXXDUVIAPJR-UHFFFAOYSA-N
MW349.65 g/mol
LogP6.21
Rot. Bonds3

About 2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole

2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole (PubChem CID 67049073) has the molecular formula C17H11Cl3N2 and a molecular weight of 349.65 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole
PubChem CID67049073
Molecular FormulaC17H11Cl3N2
Molecular Weight349.65 g/mol
Exact Mass348.00
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole
SMILESClc1ccc(C=Cc2ncc(-c3ccc(Cl)cc3Cl)[nH]2)cc1
InChIInChI=1S/C17H11Cl3N2/c18-12-4-1-11(2-5-12)3-8-17-21-10-16(22-17)14-7-6-13(19)9-15(14)20/h1-10H,(H,21,22)
InChIKeyMJOHXXDUVIAPJR-UHFFFAOYSA-N
XLogP6.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole (CID 67049073) is 2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole is Clc1ccc(C=Cc2ncc(-c3ccc(Cl)cc3Cl)[nH]2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole?
The InChIKey is MJOHXXDUVIAPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2/c18-12-4-1-11(2-5-12)3-8-17-21-10-16(22-17)14-7-6-13(19)9-15(14)20/h1-10H,(H,21,22).
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole?
2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole has a molecular weight of 349.65 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenyl]-5-(2,4-dichlorophenyl)-1H-imidazole is sourced from PubChem (CID 67049073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).