3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one

C18H21N5O3S — CID 46482052

IUPAC3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1nc(CSCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)no1
InChIInChI=1S/C18H21N5O3S/c1-12-19-16(21-26-12)10-27-11-17(24)22-8-6-13(7-9-22)23-15-5-3-2-4-14(15)20-18(23)25/h2-5,13H,6-11H2,1H3,(H,20,25)
InChIKeyGJRBZPYYXJFIND-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.12
Rot. Bonds5

About 3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 46482052) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID46482052
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1nc(CSCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)no1
InChIInChI=1S/C18H21N5O3S/c1-12-19-16(21-26-12)10-27-11-17(24)22-8-6-13(7-9-22)23-15-5-3-2-4-14(15)20-18(23)25/h2-5,13H,6-11H2,1H3,(H,20,25)
InChIKeyGJRBZPYYXJFIND-UHFFFAOYSA-N
XLogP2.12
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 60575467
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 55791592
3-[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 55789017
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 155944479
3-[1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 70707174
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
3-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 52548824
3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
3-[1-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 1200954

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 46482052) is 3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one is Cc1nc(CSCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)no1.
What is the InChIKey of 3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is GJRBZPYYXJFIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-12-19-16(21-26-12)10-27-11-17(24)22-8-6-13(7-9-22)23-15-5-3-2-4-14(15)20-18(23)25/h2-5,13H,6-11H2,1H3,(H,20,25).
What are the key properties of 3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 387.47 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 46482052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).