1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole

C19H16F2N2O3 — CID 126483935

IUPAC1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole
SMILESFC(F)Oc1ccc(C2COc3cc(Cn4ccnc4)ccc3O2)cc1
InChIInChI=1S/C19H16F2N2O3/c20-19(21)25-15-4-2-14(3-5-15)18-11-24-17-9-13(1-6-16(17)26-18)10-23-8-7-22-12-23/h1-9,12,18-19H,10-11H2
InChIKeyPLSHAIUENDAWSC-UHFFFAOYSA-N
MW358.34 g/mol
LogP4.05
Rot. Bonds5

About 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole

1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole (PubChem CID 126483935) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole
PubChem CID126483935
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole
SMILESFC(F)Oc1ccc(C2COc3cc(Cn4ccnc4)ccc3O2)cc1
InChIInChI=1S/C19H16F2N2O3/c20-19(21)25-15-4-2-14(3-5-15)18-11-24-17-9-13(1-6-16(17)26-18)10-23-8-7-22-12-23/h1-9,12,18-19H,10-11H2
InChIKeyPLSHAIUENDAWSC-UHFFFAOYSA-N
XLogP4.05
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole?
The IUPAC name of 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole (CID 126483935) is 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole is FC(F)Oc1ccc(C2COc3cc(Cn4ccnc4)ccc3O2)cc1.
What is the InChIKey of 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole?
The InChIKey is PLSHAIUENDAWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c20-19(21)25-15-4-2-14(3-5-15)18-11-24-17-9-13(1-6-16(17)26-18)10-23-8-7-22-12-23/h1-9,12,18-19H,10-11H2.
What are the key properties of 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole?
1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole has a molecular weight of 358.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazole is sourced from PubChem (CID 126483935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).