1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one

C13H14N2O2 — CID 43162782

IUPAC1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ncc[nH]2)c1
InChIInChI=1S/C13H14N2O2/c1-17-12-4-2-3-10(8-12)7-11(16)9-13-14-5-6-15-13/h2-6,8H,7,9H2,1H3,(H,14,15)
InChIKeyVIJGCQTVHGIKTG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.77
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one

1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one (PubChem CID 43162782) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one
PubChem CID43162782
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ncc[nH]2)c1
InChIInChI=1S/C13H14N2O2/c1-17-12-4-2-3-10(8-12)7-11(16)9-13-14-5-6-15-13/h2-6,8H,7,9H2,1H3,(H,14,15)
InChIKeyVIJGCQTVHGIKTG-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 115620121
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
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2-[2-bromo-3-(3-methoxyphenyl)propyl]-1H-imidazole
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1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
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N-[3-(1H-imidazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 110726436
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
CID 106677432
3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
CID 103702655
1-(3-methoxyphenyl)hex-4-yn-2-one
CID 62311381
1-(3-methoxyphenyl)heptan-2-one
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CID 103047948

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one (CID 43162782) is 1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)Cc2ncc[nH]2)c1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is VIJGCQTVHGIKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-12-4-2-3-10(8-12)7-11(16)9-13-14-5-6-15-13/h2-6,8H,7,9H2,1H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one?
1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 43162782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).