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

C16H18N6O2 — CID 110665132

IUPAC3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1nnc(N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)o1
InChIInChI=1S/C16H18N6O2/c1-2-14-19-20-16(24-14)22-7-5-21(6-8-22)15(23)11-3-4-12-13(9-11)18-10-17-12/h3-4,9-10H,2,5-8H2,1H3,(H,17,18)
InChIKeyMHZXEIMLEQSNKE-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.47
Rot. Bonds3

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

3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 110665132) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
PubChem CID110665132
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1nnc(N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)o1
InChIInChI=1S/C16H18N6O2/c1-2-14-19-20-16(24-14)22-7-5-21(6-8-22)15(23)11-3-4-12-13(9-11)18-10-17-12/h3-4,9-10H,2,5-8H2,1H3,(H,17,18)
InChIKeyMHZXEIMLEQSNKE-UHFFFAOYSA-N
XLogP1.47
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110603084
3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]benzonitrile
CID 110419177
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110417276
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110419180
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
3H-benzimidazol-5-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113874
3H-benzimidazol-5-yl-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 56780111
3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802688
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
3H-benzimidazol-5-yl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810196

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone (CID 110665132) is 3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone is CCc1nnc(N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)o1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is MHZXEIMLEQSNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-2-14-19-20-16(24-14)22-7-5-21(6-8-22)15(23)11-3-4-12-13(9-11)18-10-17-12/h3-4,9-10H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110665132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).