2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole

C11H12Cl2N2O — CID 159251315

IUPAC2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(Cl)c(OCC2=NCCN2)c1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-7-2-3-8(12)11(10(7)13)16-6-9-14-4-5-15-9/h2-3H,4-6H2,1H3,(H,14,15)
InChIKeyNGNYKRYWOQVWDR-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.68
Rot. Bonds3

About 2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole

2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 159251315) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole
PubChem CID159251315
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(Cl)c(OCC2=NCCN2)c1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-7-2-3-8(12)11(10(7)13)16-6-9-14-4-5-15-9/h2-3H,4-6H2,1H3,(H,14,15)
InChIKeyNGNYKRYWOQVWDR-UHFFFAOYSA-N
XLogP2.68
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole (CID 159251315) is 2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole is Cc1ccc(Cl)c(OCC2=NCCN2)c1Cl.
What is the InChIKey of 2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is NGNYKRYWOQVWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-7-2-3-8(12)11(10(7)13)16-6-9-14-4-5-15-9/h2-3H,4-6H2,1H3,(H,14,15).
What are the key properties of 2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 259.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloro-3-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 159251315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).