2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile

C22H19FN4O2 — CID 25072877

IUPAC2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(C3CCC4(CC3)CN(c3ccc(F)cc3)C(=O)O4)[nH]c2c1
InChIInChI=1S/C22H19FN4O2/c23-16-2-4-17(5-3-16)27-13-22(29-21(27)28)9-7-15(8-10-22)20-25-18-6-1-14(12-24)11-19(18)26-20/h1-6,11,15H,7-10,13H2,(H,25,26)
InChIKeyUXCIUAMOIHCLOR-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.63
Rot. Bonds2

About 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile

2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile (PubChem CID 25072877) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile
PubChem CID25072877
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(C3CCC4(CC3)CN(c3ccc(F)cc3)C(=O)O4)[nH]c2c1
InChIInChI=1S/C22H19FN4O2/c23-16-2-4-17(5-3-16)27-13-22(29-21(27)28)9-7-15(8-10-22)20-25-18-6-1-14(12-24)11-19(18)26-20/h1-6,11,15H,7-10,13H2,(H,25,26)
InChIKeyUXCIUAMOIHCLOR-UHFFFAOYSA-N
XLogP4.63
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile 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

8-[5-(4-Fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro-[4.5]decan-2-one
CID 25071620
3-phenyl-8-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 25071931
2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile
CID 25073190
3-[[(5S,7S)-3-[(2-fluorophenyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile
CID 71473867
8-(5-Fluoro-1h-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 25071930
3-Phenyl-8-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-oxa-3,8-diazaspiro-[4.5]decan-2-one
CID 25072242
3-pyridin-2-yl-8-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 25072876
2-(2-oxo-3-pyridin-2-yl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile
CID 25073188
3-(6-fluoro-2-pyridinyl)-8-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 25074110
3-[[(5S,7S)-3-(2-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile
CID 71135586
3-[[(5S,7S)-3-(2-fluorophenyl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile
CID 71474187
2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile
CID 122178359

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile (CID 25072877) is 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(C3CCC4(CC3)CN(c3ccc(F)cc3)C(=O)O4)[nH]c2c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile?
The InChIKey is UXCIUAMOIHCLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-16-2-4-17(5-3-16)27-13-22(29-21(27)28)9-7-15(8-10-22)20-25-18-6-1-14(12-24)11-19(18)26-20/h1-6,11,15H,7-10,13H2,(H,25,26).
What are the key properties of 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile?
2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 390.42 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 25072877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).