5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole

C20H18N4O — CID 50965581

IUPAC5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole
SMILESc1ccc(OCCn2cnc(-c3ccccc3)c2-c2ncc[nH]2)cc1
InChIInChI=1S/C20H18N4O/c1-3-7-16(8-4-1)18-19(20-21-11-12-22-20)24(15-23-18)13-14-25-17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,21,22)
InChIKeyVTFXPJPIQQMMNU-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.02
Rot. Bonds6

About 5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole

5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole (PubChem CID 50965581) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole
PubChem CID50965581
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole
SMILESc1ccc(OCCn2cnc(-c3ccccc3)c2-c2ncc[nH]2)cc1
InChIInChI=1S/C20H18N4O/c1-3-7-16(8-4-1)18-19(20-21-11-12-22-20)24(15-23-18)13-14-25-17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,21,22)
InChIKeyVTFXPJPIQQMMNU-UHFFFAOYSA-N
XLogP4.02
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole (CID 50965581) is 5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole is c1ccc(OCCn2cnc(-c3ccccc3)c2-c2ncc[nH]2)cc1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole?
The InChIKey is VTFXPJPIQQMMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-7-16(8-4-1)18-19(20-21-11-12-22-20)24(15-23-18)13-14-25-17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,21,22).
What are the key properties of 5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole?
5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole has a molecular weight of 330.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole is sourced from PubChem (CID 50965581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).