4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole

C15H18ClFN2 — CID 164775390

IUPAC4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole
SMILESCCn1cnc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)c1
InChIInChI=1S/C15H18ClFN2/c1-5-19-8-13(18-9-19)10-6-11(15(2,3)4)14(17)12(16)7-10/h6-9H,5H2,1-4H3
InChIKeyCEOQRIRTXMOPME-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.66
Rot. Bonds2

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

4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole (PubChem CID 164775390) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole.

Molecular Properties

Compound Name4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole
PubChem CID164775390
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole
SMILESCCn1cnc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)c1
InChIInChI=1S/C15H18ClFN2/c1-5-19-8-13(18-9-19)10-6-11(15(2,3)4)14(17)12(16)7-10/h6-9H,5H2,1-4H3
InChIKeyCEOQRIRTXMOPME-UHFFFAOYSA-N
XLogP4.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,3-oxazole
CID 164775361
5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1,4-dimethylimidazole
CID 164775278
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518
[3-(3-tert-butyl-5-chloro-4-fluorophenyl)phenyl]methanol
CID 164927262
2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine
CID 67264906
4-(2,4-difluorophenyl)-1-ethylimidazole
CID 141121326
1-ethyl-4-(3-methylphenyl)imidazole
CID 174530735
4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 114272833
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazole
CID 18755590
(1-ethylimidazol-4-yl)-trimethylazanium
CID 174680519
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
4-tert-butyl-5-chloro-2-fluoropyridine
CID 59233319

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole?
The IUPAC name of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole (CID 164775390) is 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole.
What is the SMILES notation for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole?
The canonical SMILES for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole is CCn1cnc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)c1.
What is the InChIKey of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole?
The InChIKey is CEOQRIRTXMOPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-5-19-8-13(18-9-19)10-6-11(15(2,3)4)14(17)12(16)7-10/h6-9H,5H2,1-4H3.
What are the key properties of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole?
4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole has a molecular weight of 280.77 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-ethylimidazole is sourced from PubChem (CID 164775390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).