N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide

C25H20N4O3 — CID 50755184

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)cn2c3ccccc3nc12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H20N4O3/c30-24(26-18-10-11-22-23(14-18)32-13-12-31-22)16-29-21(17-6-2-1-3-7-17)15-28-20-9-5-4-8-19(20)27-25(28)29/h1-11,14-15H,12-13,16H2,(H,26,30)
InChIKeyZVHIBJOSOJFCHY-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.37
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide (PubChem CID 50755184) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide
PubChem CID50755184
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)cn2c3ccccc3nc12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H20N4O3/c30-24(26-18-10-11-22-23(14-18)32-13-12-31-22)16-29-21(17-6-2-1-3-7-17)15-28-20-9-5-4-8-19(20)27-25(28)29/h1-11,14-15H,12-13,16H2,(H,26,30)
InChIKeyZVHIBJOSOJFCHY-UHFFFAOYSA-N
XLogP4.37
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide
CID 50755549
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030299
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 644429
3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CID 53082629
N-[3-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
CID 17031031
N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030397
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
CID 39339095
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639
N-[1-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17029810
4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030933

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide (CID 50755184) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide is O=C(Cn1c(-c2ccccc2)cn2c3ccccc3nc12)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide?
The InChIKey is ZVHIBJOSOJFCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-24(26-18-10-11-22-23(14-18)32-13-12-31-22)16-29-21(17-6-2-1-3-7-17)15-28-20-9-5-4-8-19(20)27-25(28)29/h1-11,14-15H,12-13,16H2,(H,26,30).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide has a molecular weight of 424.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide is sourced from PubChem (CID 50755184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).