6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole

C20H17N3O3 — CID 4645289

IUPAC6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
SMILESCOc1cccc(-c2cn3cc(-c4ccc5c(c4)OCO5)n(C)c3n2)c1
InChIInChI=1S/C20H17N3O3/c1-22-17(14-6-7-18-19(9-14)26-12-25-18)11-23-10-16(21-20(22)23)13-4-3-5-15(8-13)24-2/h3-11H,12H2,1-2H3
InChIKeyQVZXYHJXDLFJRV-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.74
Rot. Bonds3

About 6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole

6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole (PubChem CID 4645289) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
PubChem CID4645289
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
SMILESCOc1cccc(-c2cn3cc(-c4ccc5c(c4)OCO5)n(C)c3n2)c1
InChIInChI=1S/C20H17N3O3/c1-22-17(14-6-7-18-19(9-14)26-12-25-18)11-23-10-16(21-20(22)23)13-4-3-5-15(8-13)24-2/h3-11H,12H2,1-2H3
InChIKeyQVZXYHJXDLFJRV-UHFFFAOYSA-N
XLogP3.74
TPSA49.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole (CID 4645289) is 6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole is COc1cccc(-c2cn3cc(-c4ccc5c(c4)OCO5)n(C)c3n2)c1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole?
The InChIKey is QVZXYHJXDLFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-22-17(14-6-7-18-19(9-14)26-12-25-18)11-23-10-16(21-20(22)23)13-4-3-5-15(8-13)24-2/h3-11H,12H2,1-2H3.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole?
6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole has a molecular weight of 347.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole is sourced from PubChem (CID 4645289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).