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

C18H17N3O — CID 2980042

IUPAC2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C18H17N3O/c1-13-6-8-14(9-7-13)17(22)12-21-16-5-3-2-4-15(16)20-11-10-19-18(20)21/h2-9H,10-12H2,1H3
InChIKeyNYECJIMWDVKXLC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.87
Rot. Bonds3

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

2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone (PubChem CID 2980042) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone
PubChem CID2980042
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C18H17N3O/c1-13-6-8-14(9-7-13)17(22)12-21-16-5-3-2-4-15(16)20-11-10-19-18(20)21/h2-9H,10-12H2,1H3
InChIKeyNYECJIMWDVKXLC-UHFFFAOYSA-N
XLogP2.87
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone (CID 2980042) is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CN2C3=NCCN3c3ccccc32)cc1.
What is the InChIKey of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is NYECJIMWDVKXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-6-8-14(9-7-13)17(22)12-21-16-5-3-2-4-15(16)20-11-10-19-18(20)21/h2-9H,10-12H2,1H3.
What are the key properties of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone?
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone has a molecular weight of 291.35 g/mol, XLogP of 2.87, 3 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-methylphenyl)ethanone is sourced from PubChem (CID 2980042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).