1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one

C14H16N2O2 — CID 10728982

IUPAC1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-14(17)11-3-5-13(6-4-11)18-8-7-12-9-15-10-16-12/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
InChIKeyWVFFTJIGXOBNOU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.62
Rot. Bonds6

About 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one

1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one (PubChem CID 10728982) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one
PubChem CID10728982
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-14(17)11-3-5-13(6-4-11)18-8-7-12-9-15-10-16-12/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
InChIKeyWVFFTJIGXOBNOU-UHFFFAOYSA-N
XLogP2.62
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ciproxifan
CID 6422124
(4-(3-(1H-Imidazol-4-yl)propyloxy)phenyl)ethanone
CID 11776588
1h-Imidazol-4-yl(4-methoxyphenyl)methanone
CID 760231
Ciproxifan maleate
CID 16219152
(4-(3-(1H-imidazol-5-yl)propoxy)phenyl)(cyclopropyl)methanone maleate
CID 46700835
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
CID 10730629
4-{3-[4-(3,3-Dimethyl-but-1-ynyl)-phenoxy]-propyl}-1H-imidazole
CID 10779275
(Z)-but-2-enedioic acid;(NE)-N-[[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methylidene]hydroxylamine
CID 44341015
(Z)-but-2-enedioic acid;(NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethylidene]hydroxylamine
CID 44341093
(Z)-but-2-enedioic acid;1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethanone
CID 44351969

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one (CID 10728982) is 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCCc2cnc[nH]2)cc1.
What is the InChIKey of 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one?
The InChIKey is WVFFTJIGXOBNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-14(17)11-3-5-13(6-4-11)18-8-7-12-9-15-10-16-12/h3-6,9-10H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one?
1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one has a molecular weight of 244.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one is sourced from PubChem (CID 10728982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).