1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one

C13H25N3O — CID 80581681

IUPAC1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one
SMILESCCCNC(CC)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C13H25N3O/c1-5-7-14-12(6-2)10-15-8-9-16(11(3)4)13(15)17/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyXCIXGDHLOTUYMT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.01
Rot. Bonds7

About 1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one

1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one (PubChem CID 80581681) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one
PubChem CID80581681
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one
SMILESCCCNC(CC)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C13H25N3O/c1-5-7-14-12(6-2)10-15-8-9-16(11(3)4)13(15)17/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyXCIXGDHLOTUYMT-UHFFFAOYSA-N
XLogP2.01
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one?
The IUPAC name of 1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one (CID 80581681) is 1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one.
What is the SMILES notation for 1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one?
The canonical SMILES for 1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one is CCCNC(CC)Cn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one?
The InChIKey is XCIXGDHLOTUYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-7-14-12(6-2)10-15-8-9-16(11(3)4)13(15)17/h8-9,11-12,14H,5-7,10H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one?
1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one is sourced from PubChem (CID 80581681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).