4-bromo-1-(4-tert-butylphenyl)imidazole

C13H15BrN2 — CID 66520748

IUPAC4-bromo-1-(4-tert-butylphenyl)imidazole
SMILESCC(C)(C)c1ccc(-n2cnc(Br)c2)cc1
InChIInChI=1S/C13H15BrN2/c1-13(2,3)10-4-6-11(7-5-10)16-8-12(14)15-9-16/h4-9H,1-3H3
InChIKeyUTHWDBNNEWGBAZ-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.93
Rot. Bonds1

About 4-bromo-1-(4-tert-butylphenyl)imidazole

4-bromo-1-(4-tert-butylphenyl)imidazole (PubChem CID 66520748) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 4-bromo-1-(4-tert-butylphenyl)imidazole.

Molecular Properties

Compound Name4-bromo-1-(4-tert-butylphenyl)imidazole
PubChem CID66520748
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name4-bromo-1-(4-tert-butylphenyl)imidazole
SMILESCC(C)(C)c1ccc(-n2cnc(Br)c2)cc1
InChIInChI=1S/C13H15BrN2/c1-13(2,3)10-4-6-11(7-5-10)16-8-12(14)15-9-16/h4-9H,1-3H3
InChIKeyUTHWDBNNEWGBAZ-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-tert-butylphenyl)imidazole?
The IUPAC name of 4-bromo-1-(4-tert-butylphenyl)imidazole (CID 66520748) is 4-bromo-1-(4-tert-butylphenyl)imidazole.
What is the SMILES notation for 4-bromo-1-(4-tert-butylphenyl)imidazole?
The canonical SMILES for 4-bromo-1-(4-tert-butylphenyl)imidazole is CC(C)(C)c1ccc(-n2cnc(Br)c2)cc1.
What is the InChIKey of 4-bromo-1-(4-tert-butylphenyl)imidazole?
The InChIKey is UTHWDBNNEWGBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-13(2,3)10-4-6-11(7-5-10)16-8-12(14)15-9-16/h4-9H,1-3H3.
What are the key properties of 4-bromo-1-(4-tert-butylphenyl)imidazole?
4-bromo-1-(4-tert-butylphenyl)imidazole has a molecular weight of 279.18 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-tert-butylphenyl)imidazole is sourced from PubChem (CID 66520748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).