3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine

C15H18F3N3 — CID 62220663

IUPAC3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine
SMILESCCCc1nc(-c2ccccc2C(F)(F)F)c(N)n1CC
InChIInChI=1S/C15H18F3N3/c1-3-7-12-20-13(14(19)21(12)4-2)10-8-5-6-9-11(10)15(16,17)18/h5-6,8-9H,3-4,7,19H2,1-2H3
InChIKeyHRIYQVLXOMZAOU-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.12
Rot. Bonds4

About 3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine

3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine (PubChem CID 62220663) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine
PubChem CID62220663
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine
SMILESCCCc1nc(-c2ccccc2C(F)(F)F)c(N)n1CC
InChIInChI=1S/C15H18F3N3/c1-3-7-12-20-13(14(19)21(12)4-2)10-8-5-6-9-11(10)15(16,17)18/h5-6,8-9H,3-4,7,19H2,1-2H3
InChIKeyHRIYQVLXOMZAOU-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine?
The IUPAC name of 3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine (CID 62220663) is 3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine.
What is the SMILES notation for 3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine?
The canonical SMILES for 3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine is CCCc1nc(-c2ccccc2C(F)(F)F)c(N)n1CC.
What is the InChIKey of 3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine?
The InChIKey is HRIYQVLXOMZAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-7-12-20-13(14(19)21(12)4-2)10-8-5-6-9-11(10)15(16,17)18/h5-6,8-9H,3-4,7,19H2,1-2H3.
What are the key properties of 3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine?
3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine has a molecular weight of 297.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propyl-5-[2-(trifluoromethyl)phenyl]imidazol-4-amine is sourced from PubChem (CID 62220663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).