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

C16H16N2O — CID 44568614

IUPAC2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(OC(C2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)
InChIKeyOABROWXKGQFLDH-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.81
Rot. Bonds4

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

2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 44568614) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID44568614
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(OC(C2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)
InChIKeyOABROWXKGQFLDH-UHFFFAOYSA-N
XLogP2.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole (CID 44568614) is 2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole is c1ccc(OC(C2=NCCN2)c2ccccc2)cc1.
What is the InChIKey of 2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is OABROWXKGQFLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18).
What are the key properties of 2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 252.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 44568614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).