2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine

C15H19ClFN3 — CID 81166343

IUPAC2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine
SMILESCCn1c(C(C)(C)C)nc(-c2ccc(F)c(Cl)c2)c1N
InChIInChI=1S/C15H19ClFN3/c1-5-20-13(18)12(19-14(20)15(2,3)4)9-6-7-11(17)10(16)8-9/h6-8H,5,18H2,1-4H3
InChIKeyHFYPLLYYSJIGAP-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.24
Rot. Bonds2

About 2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine

2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine (PubChem CID 81166343) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine
PubChem CID81166343
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine
SMILESCCn1c(C(C)(C)C)nc(-c2ccc(F)c(Cl)c2)c1N
InChIInChI=1S/C15H19ClFN3/c1-5-20-13(18)12(19-14(20)15(2,3)4)9-6-7-11(17)10(16)8-9/h6-8H,5,18H2,1-4H3
InChIKeyHFYPLLYYSJIGAP-UHFFFAOYSA-N
XLogP4.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine (CID 81166343) is 2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine is CCn1c(C(C)(C)C)nc(-c2ccc(F)c(Cl)c2)c1N.
What is the InChIKey of 2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine?
The InChIKey is HFYPLLYYSJIGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-5-20-13(18)12(19-14(20)15(2,3)4)9-6-7-11(17)10(16)8-9/h6-8H,5,18H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine?
2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine has a molecular weight of 295.79 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine is sourced from PubChem (CID 81166343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).