1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one

C10H18N4O — CID 83885126

IUPAC1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one
SMILESCn1cc(CN2CCNCC2)n(C)c1=O
InChIInChI=1S/C10H18N4O/c1-12-7-9(13(2)10(12)15)8-14-5-3-11-4-6-14/h7,11H,3-6,8H2,1-2H3
InChIKeyHRJOKIUTNLFSLL-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.87
Rot. Bonds2

About 1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one

1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one (PubChem CID 83885126) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one
PubChem CID83885126
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one
SMILESCn1cc(CN2CCNCC2)n(C)c1=O
InChIInChI=1S/C10H18N4O/c1-12-7-9(13(2)10(12)15)8-14-5-3-11-4-6-14/h7,11H,3-6,8H2,1-2H3
InChIKeyHRJOKIUTNLFSLL-UHFFFAOYSA-N
XLogP-0.87
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one?
The IUPAC name of 1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one (CID 83885126) is 1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one?
The canonical SMILES for 1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one is Cn1cc(CN2CCNCC2)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one?
The InChIKey is HRJOKIUTNLFSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-12-7-9(13(2)10(12)15)8-14-5-3-11-4-6-14/h7,11H,3-6,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one?
1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one has a molecular weight of 210.28 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one is sourced from PubChem (CID 83885126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).