3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one

C18H20N4O — CID 11587610

IUPAC3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(N3CCNCC3)cccc2n1Cc1ccccc1
InChIInChI=1S/C18H20N4O/c23-18-20-17-15(21-11-9-19-10-12-21)7-4-8-16(17)22(18)13-14-5-2-1-3-6-14/h1-8,19H,9-13H2,(H,20,23)
InChIKeyDAYKFJBBBYXISN-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.79
Rot. Bonds3

About 3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one

3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one (PubChem CID 11587610) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one
PubChem CID11587610
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(N3CCNCC3)cccc2n1Cc1ccccc1
InChIInChI=1S/C18H20N4O/c23-18-20-17-15(21-11-9-19-10-12-21)7-4-8-16(17)22(18)13-14-5-2-1-3-6-14/h1-8,19H,9-13H2,(H,20,23)
InChIKeyDAYKFJBBBYXISN-UHFFFAOYSA-N
XLogP1.79
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one (CID 11587610) is 3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one is O=c1[nH]c2c(N3CCNCC3)cccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one?
The InChIKey is DAYKFJBBBYXISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18-20-17-15(21-11-9-19-10-12-21)7-4-8-16(17)22(18)13-14-5-2-1-3-6-14/h1-8,19H,9-13H2,(H,20,23).
What are the key properties of 3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one?
3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one has a molecular weight of 308.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-piperazin-1-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 11587610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).