4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride

C12H15ClF3N3 — CID 19889728

IUPAC4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCc1c(C(N)C2=NCCN2)cccc1C(F)(F)F.Cl
InChIInChI=1S/C12H14F3N3.ClH/c1-7-8(10(16)11-17-5-6-18-11)3-2-4-9(7)12(13,14)15;/h2-4,10H,5-6,16H2,1H3,(H,17,18);1H
InChIKeyMYBXQDGEUNJRIW-UHFFFAOYSA-N
MW293.72 g/mol
LogP2.44
Rot. Bonds2

About 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride

4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 19889728) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID19889728
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCc1c(C(N)C2=NCCN2)cccc1C(F)(F)F.Cl
InChIInChI=1S/C12H14F3N3.ClH/c1-7-8(10(16)11-17-5-6-18-11)3-2-4-9(7)12(13,14)15;/h2-4,10H,5-6,16H2,1H3,(H,17,18);1H
InChIKeyMYBXQDGEUNJRIW-UHFFFAOYSA-N
XLogP2.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 19889728) is 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cc1c(C(N)C2=NCCN2)cccc1C(F)(F)F.Cl.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is MYBXQDGEUNJRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3.ClH/c1-7-8(10(16)11-17-5-6-18-11)3-2-4-9(7)12(13,14)15;/h2-4,10H,5-6,16H2,1H3,(H,17,18);1H.
What are the key properties of 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 293.72 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 19889728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).