2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline

C17H10F6N4 — CID 131966789

IUPAC2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline
SMILESFC(F)(F)C1=C(C(F)(F)F)NC(c2ccc3ccc4cccnc4c3n2)N1
InChIInChI=1S/C17H10F6N4/c18-16(19,20)13-14(17(21,22)23)27-15(26-13)10-6-5-9-4-3-8-2-1-7-24-11(8)12(9)25-10/h1-7,15,26-27H
InChIKeyGWXSIZHTVOBKEB-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.31
Rot. Bonds1

About 2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline

2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline (PubChem CID 131966789) has the molecular formula C17H10F6N4 and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline
PubChem CID131966789
Molecular FormulaC17H10F6N4
Molecular Weight384.28 g/mol
Exact Mass384.08
IUPAC Name2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline
SMILESFC(F)(F)C1=C(C(F)(F)F)NC(c2ccc3ccc4cccnc4c3n2)N1
InChIInChI=1S/C17H10F6N4/c18-16(19,20)13-14(17(21,22)23)27-15(26-13)10-6-5-9-4-3-8-2-1-7-24-11(8)12(9)25-10/h1-7,15,26-27H
InChIKeyGWXSIZHTVOBKEB-UHFFFAOYSA-N
XLogP4.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

copper(1+);2-(trifluoromethyl)-1,10-phenanthroline
CID 175971875
2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride
CID 154791527
3-(trifluoromethyl)-2H-pyrazolo[4,3-h]quinoline
CID 102451668
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
europium;1,10-phenanthroline
CID 20606755
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
bis(1,10-phenanthroline);ruthenium
CID 15001085
copper(1+);1,1,1,2,2-pentafluoroethane;1,10-phenanthroline
CID 118415323
2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline
CID 171054646

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline?
The IUPAC name of 2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline (CID 131966789) is 2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline is FC(F)(F)C1=C(C(F)(F)F)NC(c2ccc3ccc4cccnc4c3n2)N1.
What is the InChIKey of 2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline?
The InChIKey is GWXSIZHTVOBKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N4/c18-16(19,20)13-14(17(21,22)23)27-15(26-13)10-6-5-9-4-3-8-2-1-7-24-11(8)12(9)25-10/h1-7,15,26-27H.
What are the key properties of 2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline?
2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline has a molecular weight of 384.28 g/mol, XLogP of 4.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 131966789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).