5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole

C14H17ClN2 — CID 116884375

IUPAC5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole
SMILESCc1ccc(C(C)(C)C)cc1-c1cnc(Cl)[nH]1
InChIInChI=1S/C14H17ClN2/c1-9-5-6-10(14(2,3)4)7-11(9)12-8-16-13(15)17-12/h5-8H,1-4H3,(H,16,17)
InChIKeyDXDFLVKFNRJFHA-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.34
Rot. Bonds1

About 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole

5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole (PubChem CID 116884375) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole.

Molecular Properties

Compound Name5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole
PubChem CID116884375
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole
SMILESCc1ccc(C(C)(C)C)cc1-c1cnc(Cl)[nH]1
InChIInChI=1S/C14H17ClN2/c1-9-5-6-10(14(2,3)4)7-11(9)12-8-16-13(15)17-12/h5-8H,1-4H3,(H,16,17)
InChIKeyDXDFLVKFNRJFHA-UHFFFAOYSA-N
XLogP4.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole?
The IUPAC name of 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole (CID 116884375) is 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole.
What is the SMILES notation for 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole?
The canonical SMILES for 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole is Cc1ccc(C(C)(C)C)cc1-c1cnc(Cl)[nH]1.
What is the InChIKey of 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole?
The InChIKey is DXDFLVKFNRJFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-5-6-10(14(2,3)4)7-11(9)12-8-16-13(15)17-12/h5-8H,1-4H3,(H,16,17).
What are the key properties of 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole?
5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole has a molecular weight of 248.76 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole is sourced from PubChem (CID 116884375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).