5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole

C20H19N5O — CID 70711680

IUPAC5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(N3CCCC(c4nc5ccccc5[nH]4)C3)n2)cc1
InChIInChI=1S/C20H19N5O/c1-2-7-14(8-3-1)19-23-20(26-24-19)25-12-6-9-15(13-25)18-21-16-10-4-5-11-17(16)22-18/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,21,22)
InChIKeyYMEVQTKEFDCNRB-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.00
Rot. Bonds3

About 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole

5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 70711680) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID70711680
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(N3CCCC(c4nc5ccccc5[nH]4)C3)n2)cc1
InChIInChI=1S/C20H19N5O/c1-2-7-14(8-3-1)19-23-20(26-24-19)25-12-6-9-15(13-25)18-21-16-10-4-5-11-17(16)22-18/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,21,22)
InChIKeyYMEVQTKEFDCNRB-UHFFFAOYSA-N
XLogP4.00
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
CID 46342002
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
3-phenyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 42955986
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
CID 56852354
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole
CID 70759993
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one
CID 135966354
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 55696056
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
CID 91946903
5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133430739

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole (CID 70711680) is 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(N3CCCC(c4nc5ccccc5[nH]4)C3)n2)cc1.
What is the InChIKey of 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is YMEVQTKEFDCNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-7-14(8-3-1)19-23-20(26-24-19)25-12-6-9-15(13-25)18-21-16-10-4-5-11-17(16)22-18/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,21,22).
What are the key properties of 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole?
5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 345.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 70711680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).