(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone

C13H13FN2O — CID 81477833

IUPAC(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCCn1ccnc1C(=O)c1cccc(C)c1F
InChIInChI=1S/C13H13FN2O/c1-3-16-8-7-15-13(16)12(17)10-6-4-5-9(2)11(10)14/h4-8H,3H2,1-2H3
InChIKeyCGMVVEYOLHGWGM-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.58
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone

(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81477833) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone
PubChem CID81477833
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCCn1ccnc1C(=O)c1cccc(C)c1F
InChIInChI=1S/C13H13FN2O/c1-3-16-8-7-15-13(16)12(17)10-6-4-5-9(2)11(10)14/h4-8H,3H2,1-2H3
InChIKeyCGMVVEYOLHGWGM-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 114020545
(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
CID 65453989
(1-ethylimidazol-2-yl)-(6-methyl-2-pyridinyl)methanone
CID 63977122
[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116577477
(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
CID 61314198
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823
(1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594368
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone (CID 81477833) is (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone is CCn1ccnc1C(=O)c1cccc(C)c1F.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is CGMVVEYOLHGWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-3-16-8-7-15-13(16)12(17)10-6-4-5-9(2)11(10)14/h4-8H,3H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone?
(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 232.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81477833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).