1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one

C13H19N3O2 — CID 80582315

IUPAC1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCNCc2ccoc2)c1=O
InChIInChI=1S/C13H19N3O2/c1-11(2)16-7-6-15(13(16)17)5-4-14-9-12-3-8-18-10-12/h3,6-8,10-11,14H,4-5,9H2,1-2H3
InChIKeyUVUBEFAJRBWZPL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.61
Rot. Bonds6

About 1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one

1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80582315) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one
PubChem CID80582315
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCNCc2ccoc2)c1=O
InChIInChI=1S/C13H19N3O2/c1-11(2)16-7-6-15(13(16)17)5-4-14-9-12-3-8-18-10-12/h3,6-8,10-11,14H,4-5,9H2,1-2H3
InChIKeyUVUBEFAJRBWZPL-UHFFFAOYSA-N
XLogP1.61
TPSA52.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582363
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
2-[2-(furan-3-ylmethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886436
1-[4-(ethylamino)butyl]-3-propan-2-ylimidazol-2-one
CID 80582411
1-[2-(4-fluoroanilino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80582579
2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 79183774
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
5-(furan-3-ylmethylamino)pentanenitrile
CID 115611430
4-(furan-3-ylmethylamino)-N-methylbutanamide
CID 115607627
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one (CID 80582315) is 1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CCNCc2ccoc2)c1=O.
What is the InChIKey of 1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is UVUBEFAJRBWZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-11(2)16-7-6-15(13(16)17)5-4-14-9-12-3-8-18-10-12/h3,6-8,10-11,14H,4-5,9H2,1-2H3.
What are the key properties of 1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one?
1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-ylmethylamino)ethyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80582315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).