1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone

C11H12N2O — CID 57294083

IUPAC1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2C=NCC2)cc1
InChIInChI=1S/C11H12N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-5,8H,6-7H2,1H3
InChIKeyWGVABKFMCZVCNM-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.74
Rot. Bonds2

About 1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone

1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone (PubChem CID 57294083) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone
PubChem CID57294083
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2C=NCC2)cc1
InChIInChI=1S/C11H12N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-5,8H,6-7H2,1H3
InChIKeyWGVABKFMCZVCNM-UHFFFAOYSA-N
XLogP1.74
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone (CID 57294083) is 1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2C=NCC2)cc1.
What is the InChIKey of 1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone?
The InChIKey is WGVABKFMCZVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone?
1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone has a molecular weight of 188.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydroimidazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 57294083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).