1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine

C10H18F3N3 — CID 116536433

IUPAC1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)CCCC(F)(F)F
InChIInChI=1S/C10H18F3N3/c1-3-16-8(14)15-7-9(16,2)5-4-6-10(11,12)13/h3-7H2,1-2H3,(H2,14,15)
InChIKeyIAMYZZRMIBZTPT-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.13
Rot. Bonds4

About 1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine

1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine (PubChem CID 116536433) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
PubChem CID116536433
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)CCCC(F)(F)F
InChIInChI=1S/C10H18F3N3/c1-3-16-8(14)15-7-9(16,2)5-4-6-10(11,12)13/h3-7H2,1-2H3,(H2,14,15)
InChIKeyIAMYZZRMIBZTPT-UHFFFAOYSA-N
XLogP2.13
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
The IUPAC name of 1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine (CID 116536433) is 1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine is CCN1C(N)=NCC1(C)CCCC(F)(F)F.
What is the InChIKey of 1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
The InChIKey is IAMYZZRMIBZTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c1-3-16-8(14)15-7-9(16,2)5-4-6-10(11,12)13/h3-7H2,1-2H3,(H2,14,15).
What are the key properties of 1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine?
1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine has a molecular weight of 237.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine is sourced from PubChem (CID 116536433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).