4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

C22H19N3O — CID 118710319

IUPAC4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESc1ccc(Oc2ccc(CN3C4=NCCN4c4ccccc43)cc2)cc1
InChIInChI=1S/C22H19N3O/c1-2-6-18(7-3-1)26-19-12-10-17(11-13-19)16-25-21-9-5-4-8-20(21)24-15-14-23-22(24)25/h1-13H,14-16H2
InChIKeyIQZFYHCORMVGLA-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.68
Rot. Bonds4

About 4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 118710319) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID118710319
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESc1ccc(Oc2ccc(CN3C4=NCCN4c4ccccc43)cc2)cc1
InChIInChI=1S/C22H19N3O/c1-2-6-18(7-3-1)26-19-12-10-17(11-13-19)16-25-21-9-5-4-8-20(21)24-15-14-23-22(24)25/h1-13H,14-16H2
InChIKeyIQZFYHCORMVGLA-UHFFFAOYSA-N
XLogP4.68
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 118710319) is 4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is c1ccc(Oc2ccc(CN3C4=NCCN4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is IQZFYHCORMVGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-2-6-18(7-3-1)26-19-12-10-17(11-13-19)16-25-21-9-5-4-8-20(21)24-15-14-23-22(24)25/h1-13H,14-16H2.
What are the key properties of 4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 341.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenoxyphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 118710319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).