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

C22H20N4O2 — CID 25073190

IUPAC2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(C3CCC4(CC3)CN(c3ccccc3)C(=O)O4)[nH]c2c1
InChIInChI=1S/C22H20N4O2/c23-13-15-6-7-18-19(12-15)25-20(24-18)16-8-10-22(11-9-16)14-26(21(27)28-22)17-4-2-1-3-5-17/h1-7,12,16H,8-11,14H2,(H,24,25)
InChIKeyVJDPCRVAZYFIDE-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.49
Rot. Bonds2

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

2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile (PubChem CID 25073190) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile
PubChem CID25073190
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(C3CCC4(CC3)CN(c3ccccc3)C(=O)O4)[nH]c2c1
InChIInChI=1S/C22H20N4O2/c23-13-15-6-7-18-19(12-15)25-20(24-18)16-8-10-22(11-9-16)14-26(21(27)28-22)17-4-2-1-3-5-17/h1-7,12,16H,8-11,14H2,(H,24,25)
InChIKeyVJDPCRVAZYFIDE-UHFFFAOYSA-N
XLogP4.49
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile
CID 25072877
{3-[5-carbamimidoyl-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-2-oxo-2,3-dihydro-benzoimidazol-1-yl}-acetic acid tert-butyl ester
CID 20814118
8-(1H-Benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 25022356
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-(2,2-dimethylpropyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile
CID 71116078
3-[[(5S,7S)-3-(2-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile
CID 71135586
1-(((5S,7S)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H-benzo[d]imidazole-6-carbonitrile
CID 71226967

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile (CID 25073190) is 2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(C3CCC4(CC3)CN(c3ccccc3)C(=O)O4)[nH]c2c1.
What is the InChIKey of 2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is VJDPCRVAZYFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-13-15-6-7-18-19(12-15)25-20(24-18)16-8-10-22(11-9-16)14-26(21(27)28-22)17-4-2-1-3-5-17/h1-7,12,16H,8-11,14H2,(H,24,25).
What are the key properties of 2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile?
2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 25073190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).