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

C13H13F4N3O — CID 106563769

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1ccnc1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H13F4N3O/c1-21-7-6-20-5-4-18-12(20)19-9-2-3-11(14)10(8-9)13(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeySXHMCWQLXQAUAR-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.43
Rot. Bonds5

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

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106563769) has the molecular formula C13H13F4N3O and a molecular weight of 303.26 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine
PubChem CID106563769
Molecular FormulaC13H13F4N3O
Molecular Weight303.26 g/mol
Exact Mass303.10
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1ccnc1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H13F4N3O/c1-21-7-6-20-5-4-18-12(20)19-9-2-3-11(14)10(8-9)13(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,19)
InChIKeySXHMCWQLXQAUAR-UHFFFAOYSA-N
XLogP3.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine (CID 106563769) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine is COCCn1ccnc1Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is SXHMCWQLXQAUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3O/c1-21-7-6-20-5-4-18-12(20)19-9-2-3-11(14)10(8-9)13(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,19).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 303.26 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106563769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).