1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol

C24H24N4O3 — CID 142147301

IUPAC1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol
SMILESCc1noc(C)c1-c1ccc2nc(N3CCC4(CC3)OC(O)c3ccccc34)[nH]c2c1
InChIInChI=1S/C24H24N4O3/c1-14-21(15(2)31-27-14)16-7-8-19-20(13-16)26-23(25-19)28-11-9-24(10-12-28)18-6-4-3-5-17(18)22(29)30-24/h3-8,13,22,29H,9-12H2,1-2H3,(H,25,26)
InChIKeyFNWNVTDMROCRPS-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.35
Rot. Bonds2

About 1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol

1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol (PubChem CID 142147301) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol.

Molecular Properties

Compound Name1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol
PubChem CID142147301
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol
SMILESCc1noc(C)c1-c1ccc2nc(N3CCC4(CC3)OC(O)c3ccccc34)[nH]c2c1
InChIInChI=1S/C24H24N4O3/c1-14-21(15(2)31-27-14)16-7-8-19-20(13-16)26-23(25-19)28-11-9-24(10-12-28)18-6-4-3-5-17(18)22(29)30-24/h3-8,13,22,29H,9-12H2,1-2H3,(H,25,26)
InChIKeyFNWNVTDMROCRPS-UHFFFAOYSA-N
XLogP4.35
TPSA87.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1-[2-(Morpholin-4-Yl)ethyl]-2-(2-Phenylethyl)-1h-Benzimidazole
CID 72201025
4-[(2S)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]propan-2-yl]morpholine
CID 127031779
4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(1H-indol-3-yl)ethyl]benzimidazol-1-yl]ethyl]morpholine
CID 137631784
4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2R,3S)-2-phenyloxolan-3-yl]benzimidazol-1-yl]ethyl]morpholine
CID 137631875
4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]aniline
CID 137640750
N-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenyl]acetamide
CID 137641504
4-[2-[5-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)benzimidazol-1-yl]ethyl]morpholine
CID 137649346
4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S,3R)-2-phenyloxolan-3-yl]benzimidazol-1-yl]ethyl]morpholine
CID 137652808
4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]-N,N-dimethylaniline
CID 137653562
4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenol
CID 137654008
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(oxolan-2-yl)-phenylmethanol
CID 124163070
3-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-piperazin-1-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 178312480

Frequently Asked Questions

What is the IUPAC name of 1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol?
The IUPAC name of 1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol (CID 142147301) is 1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol.
What is the SMILES notation for 1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol?
The canonical SMILES for 1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol is Cc1noc(C)c1-c1ccc2nc(N3CCC4(CC3)OC(O)c3ccccc34)[nH]c2c1.
What is the InChIKey of 1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol?
The InChIKey is FNWNVTDMROCRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-21(15(2)31-27-14)16-7-8-19-20(13-16)26-23(25-19)28-11-9-24(10-12-28)18-6-4-3-5-17(18)22(29)30-24/h3-8,13,22,29H,9-12H2,1-2H3,(H,25,26).
What are the key properties of 1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol?
1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol has a molecular weight of 416.48 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-ol is sourced from PubChem (CID 142147301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).