8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H20N4O2 — CID 25022356

IUPAC8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1
InChIInChI=1S/C20H20N4O2/c25-19-24(15-6-2-1-3-7-15)14-20(26-19)10-12-23(13-11-20)18-21-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2,(H,21,22)
InChIKeyKCXFGPNQDBKDQK-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.56
Rot. Bonds2

About 8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 25022356) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID25022356
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1
InChIInChI=1S/C20H20N4O2/c25-19-24(15-6-2-1-3-7-15)14-20(26-19)10-12-23(13-11-20)18-21-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2,(H,21,22)
InChIKeyKCXFGPNQDBKDQK-UHFFFAOYSA-N
XLogP3.56
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.56
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-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile
CID 25073190
4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one
CID 2919881
ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate
CID 16810437
3-(1H-Benzoimidazol-2-yl)-piperidine-1-carboxylic acid cyclohexylamide
CID 654207
N-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-amine
CID 1938673
ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 3241539
1-(1H-benzimidazol-2-ylmethyl)-3-prop-1-en-2-ylbenzimidazol-2-one
CID 9944302
8-(5-bromo-1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 25071929
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

Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 25022356) is 8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1.
What is the InChIKey of 8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KCXFGPNQDBKDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19-24(15-6-2-1-3-7-15)14-20(26-19)10-12-23(13-11-20)18-21-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2,(H,21,22).
What are the key properties of 8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 25022356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).