2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole

C13H14Cl2N2 — CID 67456289

IUPAC2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole
SMILESCC(C)(C)c1ncc(-c2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C13H14Cl2N2/c1-13(2,3)12-16-7-10(17-12)11-8(14)5-4-6-9(11)15/h4-7H,1-3H3,(H,16,17)
InChIKeyWBAHZWKJBGLVGZ-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.68
Rot. Bonds1

About 2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole

2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole (PubChem CID 67456289) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole
PubChem CID67456289
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole
SMILESCC(C)(C)c1ncc(-c2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C13H14Cl2N2/c1-13(2,3)12-16-7-10(17-12)11-8(14)5-4-6-9(11)15/h4-7H,1-3H3,(H,16,17)
InChIKeyWBAHZWKJBGLVGZ-UHFFFAOYSA-N
XLogP4.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole?
The IUPAC name of 2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole (CID 67456289) is 2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole.
What is the SMILES notation for 2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole?
The canonical SMILES for 2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole is CC(C)(C)c1ncc(-c2c(Cl)cccc2Cl)[nH]1.
What is the InChIKey of 2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole?
The InChIKey is WBAHZWKJBGLVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-13(2,3)12-16-7-10(17-12)11-8(14)5-4-6-9(11)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole?
2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole has a molecular weight of 269.18 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,6-dichlorophenyl)-1H-imidazole is sourced from PubChem (CID 67456289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).