2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone

C23H19N3O — CID 2853753

IUPAC2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone
SMILESO=C(CN1C2=NCCN2c2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O/c27-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-26-21-9-5-4-8-20(21)25-15-14-24-23(25)26/h1-13H,14-16H2
InChIKeyJPCYSKNELCOPKJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.23
Rot. Bonds4

About 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone

2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone (PubChem CID 2853753) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone
PubChem CID2853753
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone
SMILESO=C(CN1C2=NCCN2c2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O/c27-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-26-21-9-5-4-8-20(21)25-15-14-24-23(25)26/h1-13H,14-16H2
InChIKeyJPCYSKNELCOPKJ-UHFFFAOYSA-N
XLogP4.23
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23724302
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CID 17754798
CID 2849764
CID 2849764
CID 6603329
CID 6603329
CID 12256729
CID 12256729
CID 44522018
CID 44522018
CID 90670824
CID 90670824
CID 90670825
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CID 118710311
CID 118710311

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone (CID 2853753) is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone is O=C(CN1C2=NCCN2c2ccccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone?
The InChIKey is JPCYSKNELCOPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c27-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-26-21-9-5-4-8-20(21)25-15-14-24-23(25)26/h1-13H,14-16H2.
What are the key properties of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone?
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone has a molecular weight of 353.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 2853753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).