1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

C17H13N3O3 — CID 36565562

IUPAC1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCn2c1nc1ccccc12
InChIInChI=1S/C17H13N3O3/c21-16(11-5-6-14-15(9-11)23-10-22-14)20-8-7-19-13-4-2-1-3-12(13)18-17(19)20/h1-6,9H,7-8,10H2
InChIKeyDMGPDOQIZXHIBN-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.43
Rot. Bonds1

About 1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (PubChem CID 36565562) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
PubChem CID36565562
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCn2c1nc1ccccc12
InChIInChI=1S/C17H13N3O3/c21-16(11-5-6-14-15(9-11)23-10-22-14)20-8-7-19-13-4-2-1-3-12(13)18-17(19)20/h1-6,9H,7-8,10H2
InChIKeyDMGPDOQIZXHIBN-UHFFFAOYSA-N
XLogP2.43
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (CID 36565562) is 1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is O=C(c1ccc2c(c1)OCO2)N1CCn2c1nc1ccccc12.
What is the InChIKey of 1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The InChIKey is DMGPDOQIZXHIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-16(11-5-6-14-15(9-11)23-10-22-14)20-8-7-19-13-4-2-1-3-12(13)18-17(19)20/h1-6,9H,7-8,10H2.
What are the key properties of 1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone has a molecular weight of 307.31 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is sourced from PubChem (CID 36565562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).