2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole

C17H18N2O — CID 522244

IUPAC2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(C(OCC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)20-13-16-18-11-12-19-16/h1-10,17H,11-13H2,(H,18,19)
InChIKeyRTZMBWHMKICABA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.79
Rot. Bonds5

About 2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole

2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole (PubChem CID 522244) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole
PubChem CID522244
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(C(OCC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)20-13-16-18-11-12-19-16/h1-10,17H,11-13H2,(H,18,19)
InChIKeyRTZMBWHMKICABA-UHFFFAOYSA-N
XLogP2.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole (CID 522244) is 2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole is c1ccc(C(OCC2=NCCN2)c2ccccc2)cc1.
What is the InChIKey of 2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is RTZMBWHMKICABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)20-13-16-18-11-12-19-16/h1-10,17H,11-13H2,(H,18,19).
What are the key properties of 2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole?
2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 266.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydryloxymethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 522244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).