1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine

C12H11ClF3N3 — CID 106557943

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H11ClF3N3/c1-7-6-19(11(17-2)18-7)10-5-8(12(14,15)16)3-4-9(10)13/h3-6H,1-2H3,(H,17,18)
InChIKeyIZZGMFOQOXRMFC-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.89
Rot. Bonds2

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine

1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine (PubChem CID 106557943) 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,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
PubChem CID106557943
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H11ClF3N3/c1-7-6-19(11(17-2)18-7)10-5-8(12(14,15)16)3-4-9(10)13/h3-6H,1-2H3,(H,17,18)
InChIKeyIZZGMFOQOXRMFC-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106567668
1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
CID 106558479
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine
CID 106557968
1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107581408
3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-thione
CID 81335715
1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine
CID 106558212
1-(2-bromo-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106560683
N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
CID 106583716
5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one
CID 82467328
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107371340
N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647486

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine (CID 106557943) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1-c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine?
The InChIKey is IZZGMFOQOXRMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-7-6-19(11(17-2)18-7)10-5-8(12(14,15)16)3-4-9(10)13/h3-6H,1-2H3,(H,17,18).
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine?
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine has a molecular weight of 289.69 g/mol, XLogP of 3.89, 2 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,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106557943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).