ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one

C14H18N2O2 — CID 90901914

IUPACethane;1-(5-phenoxyimidazol-1-yl)propan-2-one
SMILESCC.CC(=O)Cn1cncc1Oc1ccccc1
InChIInChI=1S/C12H12N2O2.C2H6/c1-10(15)8-14-9-13-7-12(14)16-11-5-3-2-4-6-11;1-2/h2-7,9H,8H2,1H3;1-2H3
InChIKeySCVAQMQZYXHTGJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.29
Rot. Bonds4

About ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one

ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one (PubChem CID 90901914) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one.

Molecular Properties

Compound Nameethane;1-(5-phenoxyimidazol-1-yl)propan-2-one
PubChem CID90901914
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethane;1-(5-phenoxyimidazol-1-yl)propan-2-one
SMILESCC.CC(=O)Cn1cncc1Oc1ccccc1
InChIInChI=1S/C12H12N2O2.C2H6/c1-10(15)8-14-9-13-7-12(14)16-11-5-3-2-4-6-11;1-2/h2-7,9H,8H2,1H3;1-2H3
InChIKeySCVAQMQZYXHTGJ-UHFFFAOYSA-N
XLogP3.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one?
The IUPAC name of ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one (CID 90901914) is ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one.
What is the SMILES notation for ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one?
The canonical SMILES for ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one is CC.CC(=O)Cn1cncc1Oc1ccccc1.
What is the InChIKey of ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one?
The InChIKey is SCVAQMQZYXHTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C2H6/c1-10(15)8-14-9-13-7-12(14)16-11-5-3-2-4-6-11;1-2/h2-7,9H,8H2,1H3;1-2H3.
What are the key properties of ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one?
ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one has a molecular weight of 246.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-phenoxyimidazol-1-yl)propan-2-one is sourced from PubChem (CID 90901914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).