3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one

C17H19N3O — CID 77415443

IUPAC3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one
SMILESO=C1N=C(CCc2ccccc2)C=CC1CC1NC=CN1
InChIInChI=1S/C17H19N3O/c21-17-14(12-16-18-10-11-19-16)7-9-15(20-17)8-6-13-4-2-1-3-5-13/h1-5,7,9-11,14,16,18-19H,6,8,12H2
InChIKeyUAMXZKJPBPVBQM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.15
Rot. Bonds5

About 3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one

3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one (PubChem CID 77415443) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one
PubChem CID77415443
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one
SMILESO=C1N=C(CCc2ccccc2)C=CC1CC1NC=CN1
InChIInChI=1S/C17H19N3O/c21-17-14(12-16-18-10-11-19-16)7-9-15(20-17)8-6-13-4-2-1-3-5-13/h1-5,7,9-11,14,16,18-19H,6,8,12H2
InChIKeyUAMXZKJPBPVBQM-UHFFFAOYSA-N
XLogP2.15
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one?
The IUPAC name of 3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one (CID 77415443) is 3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one?
The canonical SMILES for 3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one is O=C1N=C(CCc2ccccc2)C=CC1CC1NC=CN1.
What is the InChIKey of 3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one?
The InChIKey is UAMXZKJPBPVBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17-14(12-16-18-10-11-19-16)7-9-15(20-17)8-6-13-4-2-1-3-5-13/h1-5,7,9-11,14,16,18-19H,6,8,12H2.
What are the key properties of 3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one?
3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-imidazol-2-ylmethyl)-6-(2-phenylethyl)-3H-pyridin-2-one is sourced from PubChem (CID 77415443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).