4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

C17H22N6O2 — CID 136563742

IUPAC4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)c1nnc(CN2CCN(c3cccc4[nH]c(=O)[nH]c34)CC2)o1
InChIInChI=1S/C17H22N6O2/c1-11(2)16-21-20-14(25-16)10-22-6-8-23(9-7-22)13-5-3-4-12-15(13)19-17(24)18-12/h3-5,11H,6-10H2,1-2H3,(H2,18,19,24)
InChIKeyHCJGNVNHPBKFGO-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.68
Rot. Bonds4

About 4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 136563742) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID136563742
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)c1nnc(CN2CCN(c3cccc4[nH]c(=O)[nH]c34)CC2)o1
InChIInChI=1S/C17H22N6O2/c1-11(2)16-21-20-14(25-16)10-22-6-8-23(9-7-22)13-5-3-4-12-15(13)19-17(24)18-12/h3-5,11H,6-10H2,1-2H3,(H2,18,19,24)
InChIKeyHCJGNVNHPBKFGO-UHFFFAOYSA-N
XLogP1.68
TPSA94.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 136563742) is 4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is CC(C)c1nnc(CN2CCN(c3cccc4[nH]c(=O)[nH]c34)CC2)o1.
What is the InChIKey of 4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HCJGNVNHPBKFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11(2)16-21-20-14(25-16)10-22-6-8-23(9-7-22)13-5-3-4-12-15(13)19-17(24)18-12/h3-5,11H,6-10H2,1-2H3,(H2,18,19,24).
What are the key properties of 4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 136563742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).