2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole

C20H18FN3O4 — CID 86691626

IUPAC2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole
SMILESCC(C)Oc1cc2c(C3=NCCN3)c(-c3ccc(F)cc3)oc2cc1[N+](=O)[O-]
InChIInChI=1S/C20H18FN3O4/c1-11(2)27-17-9-14-16(10-15(17)24(25)26)28-19(12-3-5-13(21)6-4-12)18(14)20-22-7-8-23-20/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)
InChIKeyQSDIUZGENMFSCB-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.28
Rot. Bonds5

About 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole

2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole (PubChem CID 86691626) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole
PubChem CID86691626
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole
SMILESCC(C)Oc1cc2c(C3=NCCN3)c(-c3ccc(F)cc3)oc2cc1[N+](=O)[O-]
InChIInChI=1S/C20H18FN3O4/c1-11(2)27-17-9-14-16(10-15(17)24(25)26)28-19(12-3-5-13(21)6-4-12)18(14)20-22-7-8-23-20/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)
InChIKeyQSDIUZGENMFSCB-UHFFFAOYSA-N
XLogP4.28
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole with MolForge

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Related Compounds

ethyl 4-fluoro-2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 130468942
2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde
CID 130469029
[2-(4-fluorophenyl)-6-nitro-3-propanoyl-1-benzofuran-5-yl] methanesulfonate
CID 58472776
6-acetyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 149158318
2-(4-fluorophenyl)-5-propan-2-yloxy-6-pyridin-3-yl-1-benzofuran-3-carboxylic acid
CID 142773646
6-[(dimethylamino)methyl]-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773399
carbamoyl 2-(4-fluorophenyl)-6-(1-hydroxyethyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 90803350
2-(4-fluorophenyl)-N-methyl-6-(4-oxidothiomorpholin-4-ium-4-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
CID 87443789
2-(4-fluorophenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773650
2-methyl-5-(4-nitro-3-propan-2-yloxyphenyl)-1,3,4-oxadiazole
CID 164530007
2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773595
2-(4-fluorophenyl)-6-[2-hydroxypropyl(methylsulfonyl)amino]-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142778342

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole (CID 86691626) is 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole is CC(C)Oc1cc2c(C3=NCCN3)c(-c3ccc(F)cc3)oc2cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is QSDIUZGENMFSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-11(2)27-17-9-14-16(10-15(17)24(25)26)28-19(12-3-5-13(21)6-4-12)18(14)20-22-7-8-23-20/h3-6,9-11H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole?
2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 383.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-nitro-5-propan-2-yloxy-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 86691626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).