1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine

C12H11F4N3 — CID 106563760

IUPAC1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCCn1ccnc1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F4N3/c1-2-19-6-5-17-11(19)18-8-3-4-10(13)9(7-8)12(14,15)16/h3-7H,2H2,1H3,(H,17,18)
InChIKeyOGUQANSURIOYIB-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.80
Rot. Bonds3

About 1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine

1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine (PubChem CID 106563760) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine
PubChem CID106563760
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCCn1ccnc1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F4N3/c1-2-19-6-5-17-11(19)18-8-3-4-10(13)9(7-8)12(14,15)16/h3-7H,2H2,1H3,(H,17,18)
InChIKeyOGUQANSURIOYIB-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine?
The IUPAC name of 1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine (CID 106563760) is 1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine?
The canonical SMILES for 1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine is CCn1ccnc1Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine?
The InChIKey is OGUQANSURIOYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c1-2-19-6-5-17-11(19)18-8-3-4-10(13)9(7-8)12(14,15)16/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of 1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine?
1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine has a molecular weight of 273.23 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine is sourced from PubChem (CID 106563760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).