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

C15H18N2O2 — CID 60724560

IUPAC1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1Cn1ccnc1C
InChIInChI=1S/C15H18N2O2/c1-4-19-15-6-5-13(11(2)18)9-14(15)10-17-8-7-16-12(17)3/h5-9H,4,10H2,1-3H3
InChIKeyBGACLHAPNOGMFT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.84
Rot. Bonds5

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

1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone (PubChem CID 60724560) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone
PubChem CID60724560
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1Cn1ccnc1C
InChIInChI=1S/C15H18N2O2/c1-4-19-15-6-5-13(11(2)18)9-14(15)10-17-8-7-16-12(17)3/h5-9H,4,10H2,1-3H3
InChIKeyBGACLHAPNOGMFT-UHFFFAOYSA-N
XLogP2.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone
CID 61404928
1-[(5-acetyl-2-ethoxyphenyl)methyl]pyrrole-2-carbonitrile
CID 114651431
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
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-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 112689409
1-[(5-acetyl-2-ethoxyphenyl)methyl]triazole-4-carboxylic acid
CID 62060234
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
CID 63811780
1-[3-[(2,6-dimethylpiperazin-1-yl)methyl]-4-ethoxyphenyl]ethanone
CID 63911813
1-[(5-acetyl-2-ethoxyphenyl)methyl]triazole-4-carbaldehyde
CID 66216576
3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone (CID 60724560) is 1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone is CCOc1ccc(C(C)=O)cc1Cn1ccnc1C.
What is the InChIKey of 1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone?
The InChIKey is BGACLHAPNOGMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-19-15-6-5-13(11(2)18)9-14(15)10-17-8-7-16-12(17)3/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone?
1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.84, 5 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-methylimidazol-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 60724560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).