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

C15H21N5O2 — CID 90866143

IUPAC4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one
SMILESCNc1[nH]c(=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/h3,6,9-12,16H,2,4-5,7-8H2,1H3,(H,18,21)
InChIKeyARTBHQFHKPUOLF-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.87
Rot. Bonds6

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

4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one (PubChem CID 90866143) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one
PubChem CID90866143
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one
SMILESCNc1[nH]c(=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/h3,6,9-12,16H,2,4-5,7-8H2,1H3,(H,18,21)
InChIKeyARTBHQFHKPUOLF-UHFFFAOYSA-N
XLogP1.87
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one (CID 90866143) is 4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one is CNc1[nH]c(=O)n(CCCn2ccnc2)c1C1CCC=CO1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one?
The InChIKey is ARTBHQFHKPUOLF-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/h3,6,9-12,16H,2,4-5,7-8H2,1H3,(H,18,21).
What are the key properties of 4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one?
4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one has a molecular weight of 303.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one is sourced from PubChem (CID 90866143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).