2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone

C18H16N2O2 — CID 118723942

IUPAC2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone
SMILESO=C(Cn1ccnc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H16N2O2/c21-18(12-20-10-9-19-14-20)16-7-4-8-17(11-16)22-13-15-5-2-1-3-6-15/h1-11,14H,12-13H2
InChIKeySAFQGPPQYJBSGC-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.35
Rot. Bonds6

About 2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone

2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone (PubChem CID 118723942) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone
PubChem CID118723942
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone
SMILESO=C(Cn1ccnc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H16N2O2/c21-18(12-20-10-9-19-14-20)16-7-4-8-17(11-16)22-13-15-5-2-1-3-6-15/h1-11,14H,12-13H2
InChIKeySAFQGPPQYJBSGC-UHFFFAOYSA-N
XLogP3.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-((1H-imidazol-1-yl)methyl)-4H-chromen-4-one
CID 10585323
3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
CID 10588478
1-[2-(3,4-Dimethoxy-phenyl)-2-oxo-ethyl]-3-vinyl-3H-imidazol-1-ium
CID 2881855
3-(2-(4-Methoxyphenyl)-2-oxoethyl)-1-methyl-1H-imidazol-3-ium bromide
CID 2881486
1-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethyl]-1H-imidazole
CID 10608774
3-(Imidazolylmethyl)flavone
CID 11847316
4-(3-((1H-imidazol-1-yl)methyl)-4-oxo-4H-chromen-2-yl)benzonitrile
CID 11847319
3-((1H-imidazol-1-yl)methyl)-2-(4-methoxyphenyl)-4H-chromen-4-one
CID 11847320
4-Imidazol-1-ylmethylxanthen-9-one
CID 46867542
2-Imidazol-1-ylmethylxanthen-9-one
CID 46867544
1-Imidazol-1-ylmethylxanthen-9-one
CID 46867545
4-(Imidazol-1-ylmethyl)-2-pent-2-ynoxyxanthen-9-one
CID 156013925

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone (CID 118723942) is 2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone is O=C(Cn1ccnc1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone?
The InChIKey is SAFQGPPQYJBSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(12-20-10-9-19-14-20)16-7-4-8-17(11-16)22-13-15-5-2-1-3-6-15/h1-11,14H,12-13H2.
What are the key properties of 2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone?
2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone has a molecular weight of 292.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 118723942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).