4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one

C13H17N3O — CID 116622620

IUPAC4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one
SMILESCc1ccn(Cc2cncn2C(C)C)c(=O)c1
InChIInChI=1S/C13H17N3O/c1-10(2)16-9-14-7-12(16)8-15-5-4-11(3)6-13(15)17/h4-7,9-10H,8H2,1-3H3
InChIKeyFTTUKHQMSYTMDU-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.98
Rot. Bonds3

About 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one

4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one (PubChem CID 116622620) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one
PubChem CID116622620
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one
SMILESCc1ccn(Cc2cncn2C(C)C)c(=O)c1
InChIInChI=1S/C13H17N3O/c1-10(2)16-9-14-7-12(16)8-15-5-4-11(3)6-13(15)17/h4-7,9-10H,8H2,1-3H3
InChIKeyFTTUKHQMSYTMDU-UHFFFAOYSA-N
XLogP1.98
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one (CID 116622620) is 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one is Cc1ccn(Cc2cncn2C(C)C)c(=O)c1.
What is the InChIKey of 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one?
The InChIKey is FTTUKHQMSYTMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(2)16-9-14-7-12(16)8-15-5-4-11(3)6-13(15)17/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one?
4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 116622620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).