6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one

C13H16N4O2 — CID 169489632

IUPAC6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one
SMILESCC(=O)N1CCN(C2C=CC3=NC(=O)NC3=C2)CC1
InChIInChI=1S/C13H16N4O2/c1-9(18)16-4-6-17(7-5-16)10-2-3-11-12(8-10)15-13(19)14-11/h2-3,8,10H,4-7H2,1H3,(H,15,19)
InChIKeyXLQXIZCDHRFAPQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.14
Rot. Bonds1

About 6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one

6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one (PubChem CID 169489632) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one
PubChem CID169489632
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one
SMILESCC(=O)N1CCN(C2C=CC3=NC(=O)NC3=C2)CC1
InChIInChI=1S/C13H16N4O2/c1-9(18)16-4-6-17(7-5-16)10-2-3-11-12(8-10)15-13(19)14-11/h2-3,8,10H,4-7H2,1H3,(H,15,19)
InChIKeyXLQXIZCDHRFAPQ-UHFFFAOYSA-N
XLogP0.14
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one (CID 169489632) is 6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one is CC(=O)N1CCN(C2C=CC3=NC(=O)NC3=C2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one?
The InChIKey is XLQXIZCDHRFAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(18)16-4-6-17(7-5-16)10-2-3-11-12(8-10)15-13(19)14-11/h2-3,8,10H,4-7H2,1H3,(H,15,19).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one?
6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one has a molecular weight of 260.30 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 169489632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).