(1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

C11H14FN3O — CID 126789696

IUPAC(1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCn1ccnc1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C11H14FN3O/c1-2-14-7-5-13-10(14)11(16)15-6-3-4-9(12)8-15/h4-5,7H,2-3,6,8H2,1H3
InChIKeyHXMSZENXDHRZGF-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.60
Rot. Bonds2

About (1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

(1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 126789696) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID126789696
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name(1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCn1ccnc1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C11H14FN3O/c1-2-14-7-5-13-10(14)11(16)15-6-3-4-9(12)8-15/h4-5,7H,2-3,6,8H2,1H3
InChIKeyHXMSZENXDHRZGF-UHFFFAOYSA-N
XLogP1.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)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-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 126789696) is (1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is CCn1ccnc1C(=O)N1CCC=C(F)C1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is HXMSZENXDHRZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-2-14-7-5-13-10(14)11(16)15-6-3-4-9(12)8-15/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
(1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 223.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 126789696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).