4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole

C16H15N3 — CID 828006

IUPAC4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESc1ccc(CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C16H15N3/c1-2-6-13(7-3-1)12-19-15-9-5-4-8-14(15)18-11-10-17-16(18)19/h1-9H,10-12H2
InChIKeyGDGPTJOHDWWUMQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.88
Rot. Bonds2

About 4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole

4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 828006) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID828006
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESc1ccc(CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C16H15N3/c1-2-6-13(7-3-1)12-19-15-9-5-4-8-14(15)18-11-10-17-16(18)19/h1-9H,10-12H2
InChIKeyGDGPTJOHDWWUMQ-UHFFFAOYSA-N
XLogP2.88
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 828006) is 4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole is c1ccc(CN2C3=NCCN3c3ccccc32)cc1.
What is the InChIKey of 4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is GDGPTJOHDWWUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-6-13(7-3-1)12-19-15-9-5-4-8-14(15)18-11-10-17-16(18)19/h1-9H,10-12H2.
What are the key properties of 4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 249.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 828006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).