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

C15H21N5O2 — CID 135871050

IUPAC5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one
SMILESC/N=C1\NC(=O)N(CCCn2ccnc2)C1C1CCC=CO1
InChIInChI=1S/C15H21N5O2/c1-16-14-13(12-5-2-3-10-22-12)20(15(21)18-14)8-4-7-19-9-6-17-11-19/h3,6,9-13H,2,4-5,7-8H2,1H3,(H,16,18,21)
InChIKeyMRVPENGMAPNWBG-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.39
Rot. Bonds5

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

5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one (PubChem CID 135871050) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one
PubChem CID135871050
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one
SMILESC/N=C1\NC(=O)N(CCCn2ccnc2)C1C1CCC=CO1
InChIInChI=1S/C15H21N5O2/c1-16-14-13(12-5-2-3-10-22-12)20(15(21)18-14)8-4-7-19-9-6-17-11-19/h3,6,9-13H,2,4-5,7-8H2,1H3,(H,16,18,21)
InChIKeyMRVPENGMAPNWBG-UHFFFAOYSA-N
XLogP1.39
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dihydro-2H-pyran-2-yl)-4-ethyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 123906892
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
2-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-3-pentyl-2H-pyrrol-5-one
CID 143667440
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-(6-chlorocyclohexa-2,4-dien-1-yl)-1-(3-imidazol-1-ylpropyl)-4-(2-thiophen-2-ylethylimino)imidazolidin-2-one
CID 136600135
1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186
3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64880578
5-(benzhydrylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91279356
4-butylimino-5-(2,3-difluorophenyl)-1-(3-imidazol-1-ylpropyl)imidazolidin-2-one
CID 135871078
1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64872707
1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 62873840
5-(4-chloro-3-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(2-thiophen-2-ylethylimino)imidazolidin-2-one
CID 135871082

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one?
The IUPAC name of 5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one (CID 135871050) is 5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one?
The canonical SMILES for 5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one is C/N=C1\NC(=O)N(CCCn2ccnc2)C1C1CCC=CO1.
What is the InChIKey of 5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one?
The InChIKey is MRVPENGMAPNWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-16-14-13(12-5-2-3-10-22-12)20(15(21)18-14)8-4-7-19-9-6-17-11-19/h3,6,9-13H,2,4-5,7-8H2,1H3,(H,16,18,21).
What are the key properties of 5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one?
5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one has a molecular weight of 303.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-ylpropyl)-4-methyliminoimidazolidin-2-one is sourced from PubChem (CID 135871050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).