1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one

C15H20N4O — CID 117433968

IUPAC1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one
SMILESCn1ccn(-c2cccc(CN3CCNCC3)c2)c1=O
InChIInChI=1S/C15H20N4O/c1-17-9-10-19(15(17)20)14-4-2-3-13(11-14)12-18-7-5-16-6-8-18/h2-4,9-11,16H,5-8,12H2,1H3
InChIKeyXDFJYUBNTPSVGR-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.58
Rot. Bonds3

About 1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one

1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one (PubChem CID 117433968) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one
PubChem CID117433968
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one
SMILESCn1ccn(-c2cccc(CN3CCNCC3)c2)c1=O
InChIInChI=1S/C15H20N4O/c1-17-9-10-19(15(17)20)14-4-2-3-13(11-14)12-18-7-5-16-6-8-18/h2-4,9-11,16H,5-8,12H2,1H3
InChIKeyXDFJYUBNTPSVGR-UHFFFAOYSA-N
XLogP0.58
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one (CID 117433968) is 1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one is Cn1ccn(-c2cccc(CN3CCNCC3)c2)c1=O.
What is the InChIKey of 1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one?
The InChIKey is XDFJYUBNTPSVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-17-9-10-19(15(17)20)14-4-2-3-13(11-14)12-18-7-5-16-6-8-18/h2-4,9-11,16H,5-8,12H2,1H3.
What are the key properties of 1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one?
1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one has a molecular weight of 272.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one is sourced from PubChem (CID 117433968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).