2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole

C13H16N2O — CID 2765

IUPAC2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(C2CC2)c(OCC2=NCCN2)c1
InChIInChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
InChIKeyYAORIDZYZDUZCM-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.94
Rot. Bonds4

About 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole

2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 2765) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole
PubChem CID2765
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(C2CC2)c(OCC2=NCCN2)c1
InChIInChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
InChIKeyYAORIDZYZDUZCM-UHFFFAOYSA-N
XLogP1.94
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole (CID 2765) is 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole is c1ccc(C2CC2)c(OCC2=NCCN2)c1.
What is the InChIKey of 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is YAORIDZYZDUZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15).
What are the key properties of 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole?
2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 216.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 2765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).