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

C13H14N2O2 — CID 10680963

IUPAC1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H14N2O2/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
InChIKeyCLRUWYMFKYLRLG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.23
Rot. Bonds5

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

1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone (PubChem CID 10680963) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone
PubChem CID10680963
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H14N2O2/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
InChIKeyCLRUWYMFKYLRLG-UHFFFAOYSA-N
XLogP2.23
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ciproxifan
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Ucl-1390
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4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
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(4-(3-(1H-Imidazol-4-yl)propyloxy)phenyl)ethanone
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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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone (CID 10680963) is 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone is CC(=O)c1ccc(OCCc2cnc[nH]2)cc1.
What is the InChIKey of 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone?
The InChIKey is CLRUWYMFKYLRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15).
What are the key properties of 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone?
1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]ethanone has a molecular weight of 230.27 g/mol, XLogP of 2.23, 5 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]ethanone is sourced from PubChem (CID 10680963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).