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

C14H27N3O — CID 80580230

IUPAC1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one
SMILESCCCNC(Cn1ccn(CC)c1=O)C(C)CC
InChIInChI=1S/C14H27N3O/c1-5-8-15-13(12(4)6-2)11-17-10-9-16(7-3)14(17)18/h9-10,12-13,15H,5-8,11H2,1-4H3
InChIKeyNNNISPSOWBBRJK-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.08
Rot. Bonds8

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

1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one (PubChem CID 80580230) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one
PubChem CID80580230
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one
SMILESCCCNC(Cn1ccn(CC)c1=O)C(C)CC
InChIInChI=1S/C14H27N3O/c1-5-8-15-13(12(4)6-2)11-17-10-9-16(7-3)14(17)18/h9-10,12-13,15H,5-8,11H2,1-4H3
InChIKeyNNNISPSOWBBRJK-UHFFFAOYSA-N
XLogP2.08
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one (CID 80580230) is 1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one is CCCNC(Cn1ccn(CC)c1=O)C(C)CC.
What is the InChIKey of 1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one?
The InChIKey is NNNISPSOWBBRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-8-15-13(12(4)6-2)11-17-10-9-16(7-3)14(17)18/h9-10,12-13,15H,5-8,11H2,1-4H3.
What are the key properties of 1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one?
1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one has a molecular weight of 253.39 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one is sourced from PubChem (CID 80580230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).