1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole

C13H18N2O — CID 70542981

IUPAC1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole
SMILESCOC(C)Cc1ccccc1N1C=NCC1
InChIInChI=1S/C13H18N2O/c1-11(16-2)9-12-5-3-4-6-13(12)15-8-7-14-10-15/h3-6,10-11H,7-9H2,1-2H3
InChIKeyZATHDHFDGCZKJZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.11
Rot. Bonds4

About 1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole

1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole (PubChem CID 70542981) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole
PubChem CID70542981
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole
SMILESCOC(C)Cc1ccccc1N1C=NCC1
InChIInChI=1S/C13H18N2O/c1-11(16-2)9-12-5-3-4-6-13(12)15-8-7-14-10-15/h3-6,10-11H,7-9H2,1-2H3
InChIKeyZATHDHFDGCZKJZ-UHFFFAOYSA-N
XLogP2.11
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole (CID 70542981) is 1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole is COC(C)Cc1ccccc1N1C=NCC1.
What is the InChIKey of 1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole?
The InChIKey is ZATHDHFDGCZKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16-2)9-12-5-3-4-6-13(12)15-8-7-14-10-15/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole?
1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole has a molecular weight of 218.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole is sourced from PubChem (CID 70542981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).