1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one

C13H25N3O — CID 80580297

IUPAC1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one
SMILESCCCNC(CCC)Cn1ccn(CC)c1=O
InChIInChI=1S/C13H25N3O/c1-4-7-12(14-8-5-2)11-16-10-9-15(6-3)13(16)17/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyAFVHQSBYTGKNSB-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.84
Rot. Bonds8

About 1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one

1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one (PubChem CID 80580297) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one
PubChem CID80580297
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one
SMILESCCCNC(CCC)Cn1ccn(CC)c1=O
InChIInChI=1S/C13H25N3O/c1-4-7-12(14-8-5-2)11-16-10-9-15(6-3)13(16)17/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyAFVHQSBYTGKNSB-UHFFFAOYSA-N
XLogP1.84
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one
CID 80581681
1-(2-methylimidazol-1-yl)-N-propylpentan-2-amine
CID 62042314
3-[2-(propylamino)pentyl]pyrimidin-4-one
CID 63769697
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
5-methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521
1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one
CID 80581732
6-methoxy-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 105061674
4-methyl-1-[2-(propylamino)pentyl]piperidine-2,6-dione
CID 79506645
1-[2-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581786
4-[2-(propylamino)pentyl]morpholin-3-one
CID 79467992
2-[2-(propylamino)pentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513376
N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
CID 62041669

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one (CID 80580297) is 1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one is CCCNC(CCC)Cn1ccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one?
The InChIKey is AFVHQSBYTGKNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-7-12(14-8-5-2)11-16-10-9-15(6-3)13(16)17/h9-10,12,14H,4-8,11H2,1-3H3.
What are the key properties of 1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one?
1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one has a molecular weight of 239.36 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one is sourced from PubChem (CID 80580297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).