1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine

C12H11ClF3N3 — CID 106557968

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine
SMILESCCNc1nccn1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H11ClF3N3/c1-2-17-11-18-5-6-19(11)10-7-8(12(14,15)16)3-4-9(10)13/h3-7H,2H2,1H3,(H,17,18)
InChIKeyLFWGJEMCUUWKKA-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.98
Rot. Bonds3

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine

1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine (PubChem CID 106557968) has the molecular formula C12H11ClF3N3 and a molecular weight of 289.69 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine
PubChem CID106557968
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine
SMILESCCNc1nccn1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H11ClF3N3/c1-2-17-11-18-5-6-19(11)10-7-8(12(14,15)16)3-4-9(10)13/h3-7H,2H2,1H3,(H,17,18)
InChIKeyLFWGJEMCUUWKKA-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106575920
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
1-(2-chloro-5-methylphenyl)-N-methylimidazol-2-amine
CID 107628225
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole
CID 159868733
N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106557098
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80738081

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine (CID 106557968) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine is CCNc1nccn1-c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine?
The InChIKey is LFWGJEMCUUWKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-2-17-11-18-5-6-19(11)10-7-8(12(14,15)16)3-4-9(10)13/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine?
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine has a molecular weight of 289.69 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine is sourced from PubChem (CID 106557968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).