2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine

C15H20FN3 — CID 62218294

IUPAC2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine
SMILESCCn1c(C(C)(C)C)nc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C15H20FN3/c1-5-19-13(17)12(18-14(19)15(2,3)4)10-6-8-11(16)9-7-10/h6-9H,5,17H2,1-4H3
InChIKeyHPKHLHIQPFDKBK-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.59
Rot. Bonds2

About 2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine

2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine (PubChem CID 62218294) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine
PubChem CID62218294
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine
SMILESCCn1c(C(C)(C)C)nc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C15H20FN3/c1-5-19-13(17)12(18-14(19)15(2,3)4)10-6-8-11(16)9-7-10/h6-9H,5,17H2,1-4H3
InChIKeyHPKHLHIQPFDKBK-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine?
The IUPAC name of 2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine (CID 62218294) is 2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine?
The canonical SMILES for 2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine is CCn1c(C(C)(C)C)nc(-c2ccc(F)cc2)c1N.
What is the InChIKey of 2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine?
The InChIKey is HPKHLHIQPFDKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-5-19-13(17)12(18-14(19)15(2,3)4)10-6-8-11(16)9-7-10/h6-9H,5,17H2,1-4H3.
What are the key properties of 2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine?
2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine has a molecular weight of 261.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine is sourced from PubChem (CID 62218294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).