1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one

C12H21N3O — CID 80581660

IUPAC1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one
SMILESCCCNCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H21N3O/c1-2-6-13-7-3-8-14-9-10-15(12(14)16)11-4-5-11/h9-11,13H,2-8H2,1H3
InChIKeyNPCVTBZIBWYPCD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.37
Rot. Bonds7

About 1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one

1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one (PubChem CID 80581660) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one
PubChem CID80581660
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one
SMILESCCCNCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H21N3O/c1-2-6-13-7-3-8-14-9-10-15(12(14)16)11-4-5-11/h9-11,13H,2-8H2,1H3
InChIKeyNPCVTBZIBWYPCD-UHFFFAOYSA-N
XLogP1.37
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one (CID 80581660) is 1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one is CCCNCCCn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one?
The InChIKey is NPCVTBZIBWYPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-6-13-7-3-8-14-9-10-15(12(14)16)11-4-5-11/h9-11,13H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one?
1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(propylamino)propyl]imidazol-2-one is sourced from PubChem (CID 80581660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).