2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

C12H10F6N2 — CID 58951676

IUPAC2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1cccc(C(F)(F)F)c1CC1=NCCN1
InChIInChI=1S/C12H10F6N2/c13-11(14,15)8-2-1-3-9(12(16,17)18)7(8)6-10-19-4-5-20-10/h1-3H,4-6H2,(H,19,20)
InChIKeyJBRMZMKFGQYZBS-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.27
Rot. Bonds2

About 2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 58951676) has the molecular formula C12H10F6N2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
PubChem CID58951676
Molecular FormulaC12H10F6N2
Molecular Weight296.21 g/mol
Exact Mass296.07
IUPAC Name2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1cccc(C(F)(F)F)c1CC1=NCCN1
InChIInChI=1S/C12H10F6N2/c13-11(14,15)8-2-1-3-9(12(16,17)18)7(8)6-10-19-4-5-20-10/h1-3H,4-6H2,(H,19,20)
InChIKeyJBRMZMKFGQYZBS-UHFFFAOYSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (CID 58951676) is 2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1cccc(C(F)(F)F)c1CC1=NCCN1.
What is the InChIKey of 2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JBRMZMKFGQYZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2/c13-11(14,15)8-2-1-3-9(12(16,17)18)7(8)6-10-19-4-5-20-10/h1-3H,4-6H2,(H,19,20).
What are the key properties of 2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 296.21 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-bis(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58951676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).