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

C12H14F3N3 — CID 19889729

IUPAC4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1c(C(N)C2=NCCN2)cccc1C(F)(F)F
InChIInChI=1S/C12H14F3N3/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)
InChIKeyDMIWXZKWQVTWEW-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.02
Rot. Bonds2

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

4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 19889729) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
PubChem CID19889729
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1c(C(N)C2=NCCN2)cccc1C(F)(F)F
InChIInChI=1S/C12H14F3N3/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)
InChIKeyDMIWXZKWQVTWEW-UHFFFAOYSA-N
XLogP2.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.02
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?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine (CID 19889729) is 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine is Cc1c(C(N)C2=NCCN2)cccc1C(F)(F)F.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DMIWXZKWQVTWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/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).
What are the key properties of 4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine?
4,5-dihydro-1H-imidazol-2-yl-[2-methyl-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 257.26 g/mol, XLogP of 2.02, 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 is sourced from PubChem (CID 19889729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).