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

C15H20FN3 — CID 55048354

IUPAC3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C15H20FN3/c1-3-5-10-19-13(4-2)18-14(15(19)17)11-6-8-12(16)9-7-11/h6-9H,3-5,10,17H2,1-2H3
InChIKeyNENCELFIESNGFN-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.63
Rot. Bonds5

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

3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine (PubChem CID 55048354) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine
PubChem CID55048354
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C15H20FN3/c1-3-5-10-19-13(4-2)18-14(15(19)17)11-6-8-12(16)9-7-11/h6-9H,3-5,10,17H2,1-2H3
InChIKeyNENCELFIESNGFN-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine (CID 55048354) is 3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine is CCCCn1c(CC)nc(-c2ccc(F)cc2)c1N.
What is the InChIKey of 3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine?
The InChIKey is NENCELFIESNGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-5-10-19-13(4-2)18-14(15(19)17)11-6-8-12(16)9-7-11/h6-9H,3-5,10,17H2,1-2H3.
What are the key properties of 3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine?
3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine has a molecular weight of 261.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine is sourced from PubChem (CID 55048354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).