3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole

C15H17N5O — CID 63637202

IUPAC3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc2[nH]c(Cc3noc(C4CCNCC4)n3)nc2c1
InChIInChI=1S/C15H17N5O/c1-2-4-12-11(3-1)17-13(18-12)9-14-19-15(21-20-14)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2,(H,17,18)
InChIKeyZYHNEZJOZLAFMX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.00
Rot. Bonds3

About 3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole

3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 63637202) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID63637202
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc2[nH]c(Cc3noc(C4CCNCC4)n3)nc2c1
InChIInChI=1S/C15H17N5O/c1-2-4-12-11(3-1)17-13(18-12)9-14-19-15(21-20-14)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2,(H,17,18)
InChIKeyZYHNEZJOZLAFMX-UHFFFAOYSA-N
XLogP2.00
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63640322
3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79369749
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63639137
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 16615146
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 29045231
(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915286
(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 98566278
5-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63637029
[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 115446095
2-[3-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 121098202

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 63637202) is 3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole is c1ccc2[nH]c(Cc3noc(C4CCNCC4)n3)nc2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is ZYHNEZJOZLAFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-4-12-11(3-1)17-13(18-12)9-14-19-15(21-20-14)10-5-7-16-8-6-10/h1-4,10,16H,5-9H2,(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 283.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63637202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).