3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

C22H19F4N3O3 — CID 25072880

IUPAC3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C22H19F4N3O3/c23-14-1-3-15(4-2-14)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-17-6-5-16(11-18(17)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)
InChIKeyLZYDRCATBMQDRA-UHFFFAOYSA-N
MW449.40 g/mol
LogP5.65
Rot. Bonds3

About 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 25072880) has the molecular formula C22H19F4N3O3 and a molecular weight of 449.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID25072880
Molecular FormulaC22H19F4N3O3
Molecular Weight449.40 g/mol
Exact Mass449.14
IUPAC Name3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C22H19F4N3O3/c23-14-1-3-15(4-2-14)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-17-6-5-16(11-18(17)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)
InChIKeyLZYDRCATBMQDRA-UHFFFAOYSA-N
XLogP5.65
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.40
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

Methyl (5-{4-[({[2-Fluoro-5-(Trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-1h-Benzimidazol-2-Yl)carbamate
CID 9935852
Benzimidazole-urea, 46
CID 10141033
2-amino-5-(4-((2-fluoro-5-(trifluoromethyl)phenyl)aminocarbonylamino)phenoxy)-1H-benzimidazole
CID 10275349
Benzimidazole-urea, 30
CID 10300768
3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-{4-[(2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1H-1,3-benzodiazol-6-yl)oxy]phenyl}urea
CID 17755233
Benzimidazole-urea, 52
CID 17755861
3-phenyl-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 25071310
3-phenyl-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 25071621
3-(6-methylpyridin-2-yl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 25072875
3-(2-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 25073189
6-(4-Benzylpiperidin-1-carbonyl)-3,5-dihydro-imidazo[4'',5'':4,5]benzo[1,2-d]-oxazol-2-one
CID 16110252
3-(2-methylphenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 25072243

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 25072880) is 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)CN1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is LZYDRCATBMQDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O3/c23-14-1-3-15(4-2-14)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-17-6-5-16(11-18(17)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28).
What are the key properties of 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 449.40 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 25072880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).