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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106563760
N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106558420
N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106557048
1-(2-methoxyethyl)-N-[3-(methoxymethyl)phenyl]imidazol-2-amine
CID 106567138
N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 106554348
N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106578727
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979
N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106554175
1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570701
1-(2-methoxyethyl)-N-(2,4,6-trimethylphenyl)imidazol-2-amine
CID 106555369

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).