(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone

C13H13FN2O2 — CID 81285036

IUPAC(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCCn1ccnc1C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H13FN2O2/c1-3-16-7-6-15-13(16)12(17)9-4-5-10(14)11(8-9)18-2/h4-8H,3H2,1-2H3
InChIKeyHEODJZPDGRUFFG-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.28
Rot. Bonds4

About (1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone

(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 81285036) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID81285036
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCCn1ccnc1C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H13FN2O2/c1-3-16-7-6-15-13(16)12(17)9-4-5-10(14)11(8-9)18-2/h4-8H,3H2,1-2H3
InChIKeyHEODJZPDGRUFFG-UHFFFAOYSA-N
XLogP2.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115783615
1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784828
(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone
CID 105101200
(1-ethylimidazol-2-yl)-quinolin-6-ylmethanone
CID 62873887
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
CID 61314198
(1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594368
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784488
3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
CID 79732848
(1-methylimidazol-2-yl)methyl 4-fluoro-3-methoxybenzoate
CID 75515501
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone (CID 81285036) is (1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone is CCn1ccnc1C(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is HEODJZPDGRUFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-3-16-7-6-15-13(16)12(17)9-4-5-10(14)11(8-9)18-2/h4-8H,3H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone?
(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 248.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 81285036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).