2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

C20H10F2N4O2 — CID 46927868

IUPAC2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESFC1(F)Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2O1
InChIInChI=1S/C20H10F2N4O2/c21-20(22)27-13-6-5-10(9-14(13)28-20)19-25-17-11-3-1-7-23-15(11)16-12(18(17)26-19)4-2-8-24-16/h1-9H,(H,25,26)
InChIKeyQHLXNMNBKVEQHJ-UHFFFAOYSA-N
MW376.32 g/mol
LogP4.65
Rot. Bonds1

About 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 46927868) has the molecular formula C20H10F2N4O2 and a molecular weight of 376.32 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID46927868
Molecular FormulaC20H10F2N4O2
Molecular Weight376.32 g/mol
Exact Mass376.08
IUPAC Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESFC1(F)Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2O1
InChIInChI=1S/C20H10F2N4O2/c21-20(22)27-13-6-5-10(9-14(13)28-20)19-25-17-11-3-1-7-23-15(11)16-12(18(17)26-19)4-2-8-24-16/h1-9H,(H,25,26)
InChIKeyQHLXNMNBKVEQHJ-UHFFFAOYSA-N
XLogP4.65
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 46927868) is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is FC1(F)Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2O1.
What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is QHLXNMNBKVEQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F2N4O2/c21-20(22)27-13-6-5-10(9-14(13)28-20)19-25-17-11-3-1-7-23-15(11)16-12(18(17)26-19)4-2-8-24-16/h1-9H,(H,25,26).
What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 376.32 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 46927868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).