4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole

C13H17N3 — CID 3613652

IUPAC4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCCC(C)N1C2=NCCN2c2ccccc21
InChIInChI=1S/C13H17N3/c1-3-10(2)16-12-7-5-4-6-11(12)15-9-8-14-13(15)16/h4-7,10H,3,8-9H2,1-2H3
InChIKeyKUWAJFWSIAMUOR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.48
Rot. Bonds2

About 4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole

4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 3613652) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID3613652
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCCC(C)N1C2=NCCN2c2ccccc21
InChIInChI=1S/C13H17N3/c1-3-10(2)16-12-7-5-4-6-11(12)15-9-8-14-13(15)16/h4-7,10H,3,8-9H2,1-2H3
InChIKeyKUWAJFWSIAMUOR-UHFFFAOYSA-N
XLogP2.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 3613652) is 4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole is CCC(C)N1C2=NCCN2c2ccccc21.
What is the InChIKey of 4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is KUWAJFWSIAMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-10(2)16-12-7-5-4-6-11(12)15-9-8-14-13(15)16/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole?
4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 215.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 3613652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).