1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone

C19H18N2O2 — CID 18518429

IUPAC1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C19H18N2O2/c22-19(14-16-4-2-1-3-5-16)17-6-8-18(9-7-17)23-13-12-21-11-10-20-15-21/h1-11,15H,12-14H2
InChIKeyNYQQLSQIYRQOOC-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.39
Rot. Bonds7

About 1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone

1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone (PubChem CID 18518429) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
PubChem CID18518429
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C19H18N2O2/c22-19(14-16-4-2-1-3-5-16)17-6-8-18(9-7-17)23-13-12-21-11-10-20-15-21/h1-11,15H,12-14H2
InChIKeyNYQQLSQIYRQOOC-UHFFFAOYSA-N
XLogP3.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-(2-imidazol-1-ylethoxy)benzoate
CID 173412849
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1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid
CID 104651233
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
dimethyl (Z)-2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-propan-2-ylbut-2-enedioate
CID 66648818
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
3-[4-chloro-1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 67480985
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
CID 67859856

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone?
The IUPAC name of 1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone (CID 18518429) is 1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(OCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone?
The InChIKey is NYQQLSQIYRQOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(14-16-4-2-1-3-5-16)17-6-8-18(9-7-17)23-13-12-21-11-10-20-15-21/h1-11,15H,12-14H2.
What are the key properties of 1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone?
1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone has a molecular weight of 306.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone is sourced from PubChem (CID 18518429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).