1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone

C16H20N2O2 — CID 61404928

IUPAC1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1Cn1ccnc1CC
InChIInChI=1S/C16H20N2O2/c1-4-16-17-8-9-18(16)11-14-10-13(12(3)19)6-7-15(14)20-5-2/h6-10H,4-5,11H2,1-3H3
InChIKeyVAXQPYOBXLPPRQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.10
Rot. Bonds6

About 1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone

1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone (PubChem CID 61404928) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone
PubChem CID61404928
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1Cn1ccnc1CC
InChIInChI=1S/C16H20N2O2/c1-4-16-17-8-9-18(16)11-14-10-13(12(3)19)6-7-15(14)20-5-2/h6-10H,4-5,11H2,1-3H3
InChIKeyVAXQPYOBXLPPRQ-UHFFFAOYSA-N
XLogP3.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone
CID 60724560
1-[(5-acetyl-2-ethoxyphenyl)methyl]pyrrole-2-carbonitrile
CID 114651431
methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate
CID 170884510
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 112689409
1-[4-ethoxy-3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]ethanone
CID 60624668
1-[4-ethoxy-3-[(1-methylimidazol-2-yl)sulfonylmethyl]phenyl]ethanone
CID 122159287
4-[(2-ethylimidazol-1-yl)methyl]-3-fluorobenzoic acid
CID 63072890
1-[(5-acetyl-2-ethoxyphenyl)methyl]triazole-4-carboxylic acid
CID 62060234
1-[3-[(2,6-dimethylpiperazin-1-yl)methyl]-4-ethoxyphenyl]ethanone
CID 63911813
1-[(5-acetyl-2-ethoxyphenyl)methyl]triazole-4-carbaldehyde
CID 66216576
2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]acetic acid
CID 43237581

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone (CID 61404928) is 1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone is CCOc1ccc(C(C)=O)cc1Cn1ccnc1CC.
What is the InChIKey of 1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone?
The InChIKey is VAXQPYOBXLPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-16-17-8-9-18(16)11-14-10-13(12(3)19)6-7-15(14)20-5-2/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone?
1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone has a molecular weight of 272.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 61404928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).