1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone

C11H11Cl2N3O — CID 701904

IUPAC1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CCN=C1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2N3O/c1-7(17)16-6-5-14-11(16)15-10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyAFINVMDZLRAKEV-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.62
Rot. Bonds1

About 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone

1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 701904) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID701904
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CCN=C1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2N3O/c1-7(17)16-6-5-14-11(16)15-10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyAFINVMDZLRAKEV-UHFFFAOYSA-N
XLogP2.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone (CID 701904) is 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone is CC(=O)N1CCN=C1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is AFINVMDZLRAKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-7(17)16-6-5-14-11(16)15-10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone?
1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 272.13 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 701904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).