1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone

C12H14N2O — CID 84670715

IUPAC1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2=NCCN2C)cc1
InChIInChI=1S/C12H14N2O/c1-9(15)10-3-5-11(6-4-10)12-13-7-8-14(12)2/h3-6H,7-8H2,1-2H3
InChIKeyBQADCSDYURSTJE-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.58
Rot. Bonds2

About 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone

1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone (PubChem CID 84670715) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone
PubChem CID84670715
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2=NCCN2C)cc1
InChIInChI=1S/C12H14N2O/c1-9(15)10-3-5-11(6-4-10)12-13-7-8-14(12)2/h3-6H,7-8H2,1-2H3
InChIKeyBQADCSDYURSTJE-UHFFFAOYSA-N
XLogP1.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone (CID 84670715) is 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone is CC(=O)c1ccc(C2=NCCN2C)cc1.
What is the InChIKey of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone?
The InChIKey is BQADCSDYURSTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(15)10-3-5-11(6-4-10)12-13-7-8-14(12)2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone?
1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone has a molecular weight of 202.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone is sourced from PubChem (CID 84670715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).