[4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone

C15H16N6O2S — CID 3069493

IUPAC[4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCSc1nnc(C(=O)N2CCN(c3cccc4[nH]cnc34)CC2)o1
InChIInChI=1S/C15H16N6O2S/c1-24-15-19-18-13(23-15)14(22)21-7-5-20(6-8-21)11-4-2-3-10-12(11)17-9-16-10/h2-4,9H,5-8H2,1H3,(H,16,17)
InChIKeyCYPPPBJLTIMBNB-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.63
Rot. Bonds3

About [4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone

[4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 3069493) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is [4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID3069493
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name[4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCSc1nnc(C(=O)N2CCN(c3cccc4[nH]cnc34)CC2)o1
InChIInChI=1S/C15H16N6O2S/c1-24-15-19-18-13(23-15)14(22)21-7-5-20(6-8-21)11-4-2-3-10-12(11)17-9-16-10/h2-4,9H,5-8H2,1H3,(H,16,17)
InChIKeyCYPPPBJLTIMBNB-UHFFFAOYSA-N
XLogP1.63
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1H-benzimidazol-4-yl)piperazine-1-carboxylic acid
CID 20841019
4-piperazin-1-yl-1H-benzimidazole;trihydrobromide
CID 3069489
[1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol
CID 166081484
8-(1H-benzimidazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-one
CID 166081926
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride
CID 15942777
N-(3,4-dimethoxyphenyl)-N-methylsulfanyl-4-(5-methylsulfanyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide;hydroiodide
CID 88803461
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110393038
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110393026
(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110393045
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperazin-1-yl]ethanone
CID 110392615

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone (CID 3069493) is [4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone is CSc1nnc(C(=O)N2CCN(c3cccc4[nH]cnc34)CC2)o1.
What is the InChIKey of [4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is CYPPPBJLTIMBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-24-15-19-18-13(23-15)14(22)21-7-5-20(6-8-21)11-4-2-3-10-12(11)17-9-16-10/h2-4,9H,5-8H2,1H3,(H,16,17).
What are the key properties of [4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone?
[4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 344.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 3069493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).