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

C14H15FN2O2 — CID 115783615

IUPAC2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H15FN2O2/c1-3-17-7-6-16-14(17)9-12(18)10-4-5-11(15)13(8-10)19-2/h4-8H,3,9H2,1-2H3
InChIKeyZAXBJFQCZONUHS-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.48
Rot. Bonds5

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

2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone (PubChem CID 115783615) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
PubChem CID115783615
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H15FN2O2/c1-3-17-7-6-16-14(17)9-12(18)10-4-5-11(15)13(8-10)19-2/h4-8H,3,9H2,1-2H3
InChIKeyZAXBJFQCZONUHS-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784828
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784488
1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79743921
1-(4-amino-3-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116547180
(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81285036
1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783528
2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065016
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 115783554
(1-methylimidazol-2-yl)methyl 4-fluoro-3-methoxybenzoate
CID 75515501

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone (CID 115783615) is 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone is CCn1ccnc1CC(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is ZAXBJFQCZONUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-17-7-6-16-14(17)9-12(18)10-4-5-11(15)13(8-10)19-2/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 262.28 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 115783615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).