5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole

C15H18ClFN2 — CID 164775278

IUPAC5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole
SMILESCc1ncn(C)c1-c1cc(Cl)c(F)c(C(C)(C)C)c1
InChIInChI=1S/C15H18ClFN2/c1-9-14(19(5)8-18-9)10-6-11(15(2,3)4)13(17)12(16)7-10/h6-8H,1-5H3
InChIKeyLVUHMGXEEMVAEQ-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.49
Rot. Bonds1

About 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole

5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole (PubChem CID 164775278) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole.

Molecular Properties

Compound Name5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole
PubChem CID164775278
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole
SMILESCc1ncn(C)c1-c1cc(Cl)c(F)c(C(C)(C)C)c1
InChIInChI=1S/C15H18ClFN2/c1-9-14(19(5)8-18-9)10-6-11(15(2,3)4)13(17)12(16)7-10/h6-8H,1-5H3
InChIKeyLVUHMGXEEMVAEQ-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole
CID 164775390
4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole
CID 164775361
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518
4-tert-butyl-5-chloro-2-fluoropyridine
CID 59233319
[3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol
CID 164927262
1-tert-butyl-5-chloro-2-fluoro-3-methylbenzene
CID 142362659
6-chloro-5-fluoro-1-methylpyrimidin-4-one
CID 133060288
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole
CID 164927319
2-[4-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-1-methylimidazole
CID 67982099
methane;1,4,5-trimethylimidazole
CID 157422671
6-chloro-5-fluoro-3-methylpyrimidin-4-one
CID 133060787

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole?
The IUPAC name of 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole (CID 164775278) is 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole.
What is the SMILES notation for 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole?
The canonical SMILES for 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole is Cc1ncn(C)c1-c1cc(Cl)c(F)c(C(C)(C)C)c1.
What is the InChIKey of 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole?
The InChIKey is LVUHMGXEEMVAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-9-14(19(5)8-18-9)10-6-11(15(2,3)4)13(17)12(16)7-10/h6-8H,1-5H3.
What are the key properties of 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole?
5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole has a molecular weight of 280.77 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole is sourced from PubChem (CID 164775278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).