1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one

C11H13N3O — CID 115777761

IUPAC1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CCn2ccnc2)c(=O)c1
InChIInChI=1S/C11H13N3O/c1-10-2-4-14(11(15)8-10)7-6-13-5-3-12-9-13/h2-5,8-9H,6-7H2,1H3
InChIKeyQFTDXXMAVZFEMQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.05
Rot. Bonds3

About 1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one

1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one (PubChem CID 115777761) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one
PubChem CID115777761
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CCn2ccnc2)c(=O)c1
InChIInChI=1S/C11H13N3O/c1-10-2-4-14(11(15)8-10)7-6-13-5-3-12-9-13/h2-5,8-9H,6-7H2,1H3
InChIKeyQFTDXXMAVZFEMQ-UHFFFAOYSA-N
XLogP1.05
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[4-(methylamino)butyl]pyridin-2-one
CID 62988015
4-methyl-1-octylpyridin-2-one
CID 116622543
1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methylpyridin-2-one
CID 62961783
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione
CID 63811711
3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66340223
ethyl 1-(2-imidazol-1-ylethyl)-3-methylpyrrole-2-carboxylate
CID 105421743
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
4-methyl-1-[3-(propylamino)propyl]pyridin-2-one
CID 62961956
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one
CID 116622620

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one (CID 115777761) is 1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one is Cc1ccn(CCn2ccnc2)c(=O)c1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one?
The InChIKey is QFTDXXMAVZFEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-10-2-4-14(11(15)8-10)7-6-13-5-3-12-9-13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one?
1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 115777761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).