1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one

C16H21N3O2 — CID 134308372

IUPAC1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one
SMILESCc1cc(-c2nccn2CC2CCOCC2)cn(C)c1=O
InChIInChI=1S/C16H21N3O2/c1-12-9-14(11-18(2)16(12)20)15-17-5-6-19(15)10-13-3-7-21-8-4-13/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3
InChIKeyCADOCELVICEXGO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.98
Rot. Bonds3

About 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one

1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one (PubChem CID 134308372) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one
PubChem CID134308372
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one
SMILESCc1cc(-c2nccn2CC2CCOCC2)cn(C)c1=O
InChIInChI=1S/C16H21N3O2/c1-12-9-14(11-18(2)16(12)20)15-17-5-6-19(15)10-13-3-7-21-8-4-13/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3
InChIKeyCADOCELVICEXGO-UHFFFAOYSA-N
XLogP1.98
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one (CID 134308372) is 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one is Cc1cc(-c2nccn2CC2CCOCC2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one?
The InChIKey is CADOCELVICEXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-9-14(11-18(2)16(12)20)15-17-5-6-19(15)10-13-3-7-21-8-4-13/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one?
1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 134308372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).