1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide

C11H13BrF3N3 — CID 166161656

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide
SMILESBr.NC1=NCCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N3.BrH/c12-11(13,14)9-3-1-8(2-4-9)7-17-6-5-16-10(17)15;/h1-4H,5-7H2,(H2,15,16);1H
InChIKeyROQGUEBKRHZQBC-UHFFFAOYSA-N
MW324.14 g/mol
LogP2.41
Rot. Bonds2

About 1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide

1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide (PubChem CID 166161656) has the molecular formula C11H13BrF3N3 and a molecular weight of 324.14 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide
PubChem CID166161656
Molecular FormulaC11H13BrF3N3
Molecular Weight324.14 g/mol
Exact Mass323.02
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide
SMILESBr.NC1=NCCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N3.BrH/c12-11(13,14)9-3-1-8(2-4-9)7-17-6-5-16-10(17)15;/h1-4H,5-7H2,(H2,15,16);1H
InChIKeyROQGUEBKRHZQBC-UHFFFAOYSA-N
XLogP2.41
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
CID 175067580
1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine
CID 62881665
10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
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3,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one
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CID 55209715
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64883374
CID 59630135
CID 59630135
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 141472105
1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1067952
3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,5-dihydropyridin-6-one
CID 132544269
carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 158174374

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide (CID 166161656) is 1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide is Br.NC1=NCCN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide?
The InChIKey is ROQGUEBKRHZQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3.BrH/c12-11(13,14)9-3-1-8(2-4-9)7-17-6-5-16-10(17)15;/h1-4H,5-7H2,(H2,15,16);1H.
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide?
1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide has a molecular weight of 324.14 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide is sourced from PubChem (CID 166161656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).