1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one

C12H20N4O — CID 80580911

IUPAC1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one
SMILESO=c1n(CCN2CCNCC2)ccn1C1CC1
InChIInChI=1S/C12H20N4O/c17-12-15(9-10-16(12)11-1-2-11)8-7-14-5-3-13-4-6-14/h9-11,13H,1-8H2
InChIKeyQRTUJSRHWMSDJQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.11
Rot. Bonds4

About 1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one

1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one (PubChem CID 80580911) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one
PubChem CID80580911
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one
SMILESO=c1n(CCN2CCNCC2)ccn1C1CC1
InChIInChI=1S/C12H20N4O/c17-12-15(9-10-16(12)11-1-2-11)8-7-14-5-3-13-4-6-14/h9-11,13H,1-8H2
InChIKeyQRTUJSRHWMSDJQ-UHFFFAOYSA-N
XLogP-0.11
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one (CID 80580911) is 1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one is O=c1n(CCN2CCNCC2)ccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one?
The InChIKey is QRTUJSRHWMSDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12-15(9-10-16(12)11-1-2-11)8-7-14-5-3-13-4-6-14/h9-11,13H,1-8H2.
What are the key properties of 1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one?
1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one has a molecular weight of 236.32 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-piperazin-1-ylethyl)imidazol-2-one is sourced from PubChem (CID 80580911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).