1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one

C14H19N3O — CID 134306039

IUPAC1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one
SMILESCc1cc(-c2nccn2CC(C)C)cn(C)c1=O
InChIInChI=1S/C14H19N3O/c1-10(2)8-17-6-5-15-13(17)12-7-11(3)14(18)16(4)9-12/h5-7,9-10H,8H2,1-4H3
InChIKeyQHBVPBDLDLDMAJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.21
Rot. Bonds3

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

1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one (PubChem CID 134306039) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one
PubChem CID134306039
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one
SMILESCc1cc(-c2nccn2CC(C)C)cn(C)c1=O
InChIInChI=1S/C14H19N3O/c1-10(2)8-17-6-5-15-13(17)12-7-11(3)14(18)16(4)9-12/h5-7,9-10H,8H2,1-4H3
InChIKeyQHBVPBDLDLDMAJ-UHFFFAOYSA-N
XLogP2.21
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one (CID 134306039) is 1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one is Cc1cc(-c2nccn2CC(C)C)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one?
The InChIKey is QHBVPBDLDLDMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)8-17-6-5-15-13(17)12-7-11(3)14(18)16(4)9-12/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one?
1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 134306039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).