2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one

C20H29N3O2 — CID 143667440

IUPAC2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one
SMILESCCCCCC1=CC(=O)N(CCCn2ccnc2)C1C1CCC=CO1
InChIInChI=1S/C20H29N3O2/c1-2-3-4-8-17-15-19(24)23(12-7-11-22-13-10-21-16-22)20(17)18-9-5-6-14-25-18/h6,10,13-16,18,20H,2-5,7-9,11-12H2,1H3
InChIKeyMKNQMRKUKDKKDR-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.68
Rot. Bonds9

About 2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one

2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one (PubChem CID 143667440) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one
PubChem CID143667440
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one
SMILESCCCCCC1=CC(=O)N(CCCn2ccnc2)C1C1CCC=CO1
InChIInChI=1S/C20H29N3O2/c1-2-3-4-8-17-15-19(24)23(12-7-11-22-13-10-21-16-22)20(17)18-9-5-6-14-25-18/h6,10,13-16,18,20H,2-5,7-9,11-12H2,1H3
InChIKeyMKNQMRKUKDKKDR-UHFFFAOYSA-N
XLogP3.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one
CID 135871050
5-(3,4-dihydro-2H-pyran-2-yl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 123906892
7-[(2S)-3,4-dihydro-2H-pyran-2-yl]-6-(3-imidazol-1-ylpropyl)-5,5-dimethyl-7H-imidazo[5,1-e]tetrazole
CID 70883568
5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-[2-oxo-2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-yl)ethyl]iminoimidazolidin-2-one
CID 143667510
1-(3-imidazol-1-ylpropyl)-5-methyl-4-pentylpyrrolidine-2,3-dione
CID 123749269
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
carbonic acid;1-dodecylimidazole
CID 175596781
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 90909335
sodium;1-butylimidazole;bromide
CID 175480877
acetic acid;1-decylimidazole
CID 175546754
5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-pentylpyrrolidine-2,3-dione
CID 123156683

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one (CID 143667440) is 2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one is CCCCCC1=CC(=O)N(CCCn2ccnc2)C1C1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one?
The InChIKey is MKNQMRKUKDKKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-3-4-8-17-15-19(24)23(12-7-11-22-13-10-21-16-22)20(17)18-9-5-6-14-25-18/h6,10,13-16,18,20H,2-5,7-9,11-12H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one?
2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one has a molecular weight of 343.47 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one is sourced from PubChem (CID 143667440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).