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

C15H18F3N3 — CID 62218375

IUPAC3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine
SMILESCCn1c(C(C)C)nc(-c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C15H18F3N3/c1-4-21-13(19)12(20-14(21)9(2)3)10-5-7-11(8-6-10)15(16,17)18/h5-9H,4,19H2,1-3H3
InChIKeyOXOGXIJAENBFQT-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.29
Rot. Bonds3

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

3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine (PubChem CID 62218375) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine
PubChem CID62218375
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine
SMILESCCn1c(C(C)C)nc(-c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C15H18F3N3/c1-4-21-13(19)12(20-14(21)9(2)3)10-5-7-11(8-6-10)15(16,17)18/h5-9H,4,19H2,1-3H3
InChIKeyOXOGXIJAENBFQT-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine?
The IUPAC name of 3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine (CID 62218375) is 3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine.
What is the SMILES notation for 3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine?
The canonical SMILES for 3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine is CCn1c(C(C)C)nc(-c2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of 3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine?
The InChIKey is OXOGXIJAENBFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-4-21-13(19)12(20-14(21)9(2)3)10-5-7-11(8-6-10)15(16,17)18/h5-9H,4,19H2,1-3H3.
What are the key properties of 3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine?
3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine has a molecular weight of 297.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine is sourced from PubChem (CID 62218375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).