5-bromo-1-tert-butyl-4-chloroimidazole

C7H10BrClN2 — CID 129303240

IUPAC5-bromo-1-tert-butyl-4-chloroimidazole
SMILESCC(C)(C)n1cnc(Cl)c1Br
InChIInChI=1S/C7H10BrClN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3
InChIKeyKSKMYQKSCUNTCZ-UHFFFAOYSA-N
MW237.53 g/mol
LogP3.05
Rot. Bonds

About 5-bromo-1-tert-butyl-4-chloroimidazole

5-bromo-1-tert-butyl-4-chloroimidazole (PubChem CID 129303240) has the molecular formula C7H10BrClN2 and a molecular weight of 237.53 g/mol. Its IUPAC name is 5-bromo-1-tert-butyl-4-chloroimidazole.

Molecular Properties

Compound Name5-bromo-1-tert-butyl-4-chloroimidazole
PubChem CID129303240
Molecular FormulaC7H10BrClN2
Molecular Weight237.53 g/mol
Exact Mass235.97
IUPAC Name5-bromo-1-tert-butyl-4-chloroimidazole
SMILESCC(C)(C)n1cnc(Cl)c1Br
InChIInChI=1S/C7H10BrClN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3
InChIKeyKSKMYQKSCUNTCZ-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-tert-butyl-4-chloroimidazole?
The IUPAC name of 5-bromo-1-tert-butyl-4-chloroimidazole (CID 129303240) is 5-bromo-1-tert-butyl-4-chloroimidazole.
What is the SMILES notation for 5-bromo-1-tert-butyl-4-chloroimidazole?
The canonical SMILES for 5-bromo-1-tert-butyl-4-chloroimidazole is CC(C)(C)n1cnc(Cl)c1Br.
What is the InChIKey of 5-bromo-1-tert-butyl-4-chloroimidazole?
The InChIKey is KSKMYQKSCUNTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrClN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3.
What are the key properties of 5-bromo-1-tert-butyl-4-chloroimidazole?
5-bromo-1-tert-butyl-4-chloroimidazole has a molecular weight of 237.53 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-tert-butyl-4-chloroimidazole is sourced from PubChem (CID 129303240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).