5-(4-tert-butylphenyl)-1,2-dimethylimidazole

C15H20N2 — CID 155445809

IUPAC5-(4-tert-butylphenyl)-1,2-dimethylimidazole
SMILESCc1ncc(-c2ccc(C(C)(C)C)cc2)n1C
InChIInChI=1S/C15H20N2/c1-11-16-10-14(17(11)5)12-6-8-13(9-7-12)15(2,3)4/h6-10H,1-5H3
InChIKeyGRDUKERLRXQOGA-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.69
Rot. Bonds1

About 5-(4-tert-butylphenyl)-1,2-dimethylimidazole

5-(4-tert-butylphenyl)-1,2-dimethylimidazole (PubChem CID 155445809) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1,2-dimethylimidazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1,2-dimethylimidazole
PubChem CID155445809
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-(4-tert-butylphenyl)-1,2-dimethylimidazole
SMILESCc1ncc(-c2ccc(C(C)(C)C)cc2)n1C
InChIInChI=1S/C15H20N2/c1-11-16-10-14(17(11)5)12-6-8-13(9-7-12)15(2,3)4/h6-10H,1-5H3
InChIKeyGRDUKERLRXQOGA-UHFFFAOYSA-N
XLogP3.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1,2-dimethylimidazole?
The IUPAC name of 5-(4-tert-butylphenyl)-1,2-dimethylimidazole (CID 155445809) is 5-(4-tert-butylphenyl)-1,2-dimethylimidazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1,2-dimethylimidazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-1,2-dimethylimidazole is Cc1ncc(-c2ccc(C(C)(C)C)cc2)n1C.
What is the InChIKey of 5-(4-tert-butylphenyl)-1,2-dimethylimidazole?
The InChIKey is GRDUKERLRXQOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-16-10-14(17(11)5)12-6-8-13(9-7-12)15(2,3)4/h6-10H,1-5H3.
What are the key properties of 5-(4-tert-butylphenyl)-1,2-dimethylimidazole?
5-(4-tert-butylphenyl)-1,2-dimethylimidazole has a molecular weight of 228.34 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1,2-dimethylimidazole is sourced from PubChem (CID 155445809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).