2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole

C15H22N2 — CID 73011052

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole
SMILESCc1cc(C(C)(C)C)cc(C)c1C1=NCCN1
InChIInChI=1S/C15H22N2/c1-10-8-12(15(3,4)5)9-11(2)13(10)14-16-6-7-17-14/h8-9H,6-7H2,1-5H3,(H,16,17)
InChIKeyHSDHQMJMIKWBGQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.95
Rot. Bonds1

About 2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole

2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 73011052) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole
PubChem CID73011052
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole
SMILESCc1cc(C(C)(C)C)cc(C)c1C1=NCCN1
InChIInChI=1S/C15H22N2/c1-10-8-12(15(3,4)5)9-11(2)13(10)14-16-6-7-17-14/h8-9H,6-7H2,1-5H3,(H,16,17)
InChIKeyHSDHQMJMIKWBGQ-UHFFFAOYSA-N
XLogP2.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole (CID 73011052) is 2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole is Cc1cc(C(C)(C)C)cc(C)c1C1=NCCN1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is HSDHQMJMIKWBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10-8-12(15(3,4)5)9-11(2)13(10)14-16-6-7-17-14/h8-9H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole?
2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 230.35 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 73011052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).