benzene;imidazol-2-one;piperazine

C13H18N4O — CID 160708551

IUPACbenzene;imidazol-2-one;piperazine
SMILESC1CNCCN1.O=C1N=CC=N1.c1ccccc1
InChIInChI=1S/C6H6.C4H10N2.C3H2N2O/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;6-3-4-1-2-5-3/h1-6H;5-6H,1-4H2;1-2H
InChIKeyRRNVYZOVUSNGRD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.13
Rot. Bonds

About benzene;imidazol-2-one;piperazine

benzene;imidazol-2-one;piperazine (PubChem CID 160708551) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is benzene;imidazol-2-one;piperazine.

Molecular Properties

Compound Namebenzene;imidazol-2-one;piperazine
PubChem CID160708551
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Namebenzene;imidazol-2-one;piperazine
SMILESC1CNCCN1.O=C1N=CC=N1.c1ccccc1
InChIInChI=1S/C6H6.C4H10N2.C3H2N2O/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;6-3-4-1-2-5-3/h1-6H;5-6H,1-4H2;1-2H
InChIKeyRRNVYZOVUSNGRD-UHFFFAOYSA-N
XLogP1.13
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;imidazol-2-one;piperazine?
The IUPAC name of benzene;imidazol-2-one;piperazine (CID 160708551) is benzene;imidazol-2-one;piperazine.
What is the SMILES notation for benzene;imidazol-2-one;piperazine?
The canonical SMILES for benzene;imidazol-2-one;piperazine is C1CNCCN1.O=C1N=CC=N1.c1ccccc1.
What is the InChIKey of benzene;imidazol-2-one;piperazine?
The InChIKey is RRNVYZOVUSNGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H10N2.C3H2N2O/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;6-3-4-1-2-5-3/h1-6H;5-6H,1-4H2;1-2H.
What are the key properties of benzene;imidazol-2-one;piperazine?
benzene;imidazol-2-one;piperazine has a molecular weight of 246.31 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;imidazol-2-one;piperazine is sourced from PubChem (CID 160708551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).