(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone

C11H11N3O — CID 112731494

IUPAC(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2nccn2C)cn1
InChIInChI=1S/C11H11N3O/c1-8-3-4-9(7-13-8)10(15)11-12-5-6-14(11)2/h3-7H,1-2H3
InChIKeyGDKVULPAMLDJEM-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.35
Rot. Bonds2

About (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone

(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 112731494) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID112731494
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2nccn2C)cn1
InChIInChI=1S/C11H11N3O/c1-8-3-4-9(7-13-8)10(15)11-12-5-6-14(11)2/h3-7H,1-2H3
InChIKeyGDKVULPAMLDJEM-UHFFFAOYSA-N
XLogP1.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone 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 (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone (CID 112731494) is (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2nccn2C)cn1.
What is the InChIKey of (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is GDKVULPAMLDJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-3-4-9(7-13-8)10(15)11-12-5-6-14(11)2/h3-7H,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone?
(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 201.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 112731494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).