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

C13H13ClF3N3O — CID 106557212

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1-c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H13ClF3N3O/c1-21-7-5-19-12-18-4-6-20(12)11-3-2-9(14)8-10(11)13(15,16)17/h2-4,6,8H,5,7H2,1H3,(H,18,19)
InChIKeyMHDWMNOBLZKASF-UHFFFAOYSA-N
MW319.71 g/mol
LogP3.60
Rot. Bonds5

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

1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106557212) has the molecular formula C13H13ClF3N3O and a molecular weight of 319.71 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine
PubChem CID106557212
Molecular FormulaC13H13ClF3N3O
Molecular Weight319.71 g/mol
Exact Mass319.07
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1-c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H13ClF3N3O/c1-21-7-5-19-12-18-4-6-20(12)11-3-2-9(14)8-10(11)13(15,16)17/h2-4,6,8H,5,7H2,1H3,(H,18,19)
InChIKeyMHDWMNOBLZKASF-UHFFFAOYSA-N
XLogP3.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Triflumizole
CID 91699
1-[4-Chloro-3-(trifluoromethyl)phenyl]imidazole
CID 125480274
N-(4-chloro-2-(4-methyl-1h-imidazol-1-yl)-6-(trifluoromethyl)phenyl)acetamide
CID 129864445
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 8048725
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-imidazol-1-ylacetamide
CID 41673456
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazol-1-ylpropyl)urea
CID 44755932
1-[4-Chloro-2-(trifluoromethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
CID 53519957
N'-(4-chloro-2,6-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]urea
CID 72854406
Imidazole, 1-[1-(4-chloro-2-trifluoromethylphenylimino)-2-propoxyethyl
CID 91752037
1-[4-Chloro-2-(trifluoromethyl)phenyl]-3-(2-imidazol-1-ylphenyl)urea
CID 12911668
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-methoxyethanimine
CID 14327497
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethoxy-1-imidazol-1-ylethanimine
CID 14327498

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine (CID 106557212) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine is COCCNc1nccn1-c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is MHDWMNOBLZKASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O/c1-21-7-5-19-12-18-4-6-20(12)11-3-2-9(14)8-10(11)13(15,16)17/h2-4,6,8H,5,7H2,1H3,(H,18,19).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine?
1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 319.71 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106557212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).