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

C15H17FN2O2 — CID 115784828

IUPAC1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H17FN2O2/c1-3-7-18-8-6-17-15(18)10-13(19)11-4-5-12(16)14(9-11)20-2/h4-6,8-9H,3,7,10H2,1-2H3
InChIKeyDNFNBIFGCOZWKU-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.87
Rot. Bonds6

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

1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 115784828) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID115784828
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H17FN2O2/c1-3-7-18-8-6-17-15(18)10-13(19)11-4-5-12(16)14(9-11)20-2/h4-6,8-9H,3,7,10H2,1-2H3
InChIKeyDNFNBIFGCOZWKU-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.87
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-methylimidazol-2-yl)ethanone
CID 115784488
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784801
1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79743921
(1-methylimidazol-2-yl)methyl 4-fluoro-3-methoxybenzoate
CID 75515501
(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81285036
1-(4-amino-3-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116547180
2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609325
1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744097
2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114963475

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone (CID 115784828) is 1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is DNFNBIFGCOZWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-7-18-8-6-17-15(18)10-13(19)11-4-5-12(16)14(9-11)20-2/h4-6,8-9H,3,7,10H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone?
1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 276.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).