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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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).