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

C19H14BrN3O2 — CID 3482371

IUPAC2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole
SMILESCn1c(-c2cccc(Br)c2)cn2cc(-c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C19H14BrN3O2/c1-22-16(13-3-2-4-14(20)7-13)10-23-9-15(21-19(22)23)12-5-6-17-18(8-12)25-11-24-17/h2-10H,11H2,1H3
InChIKeyXPFOUQDKKBFKCO-UHFFFAOYSA-N
MW396.24 g/mol
LogP4.50
Rot. Bonds2

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

2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole (PubChem CID 3482371) has the molecular formula C19H14BrN3O2 and a molecular weight of 396.24 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole
PubChem CID3482371
Molecular FormulaC19H14BrN3O2
Molecular Weight396.24 g/mol
Exact Mass395.03
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole
SMILESCn1c(-c2cccc(Br)c2)cn2cc(-c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C19H14BrN3O2/c1-22-16(13-3-2-4-14(20)7-13)10-23-9-15(21-19(22)23)12-5-6-17-18(8-12)25-11-24-17/h2-10H,11H2,1H3
InChIKeyXPFOUQDKKBFKCO-UHFFFAOYSA-N
XLogP4.50
TPSA40.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
CID 4645289
5-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-1-(2-fluoroethyl)pyrazole
CID 58527174
2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid
CID 103097572
2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole
CID 4693345
2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
CID 3438113
7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole
CID 5028639
2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride
CID 52994959
2-[2-amino-4-(3-bromophenyl)-3-methylimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone
CID 5021987
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
CID 113428335
3-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 22588400
3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 155550651

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole (CID 3482371) is 2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole is Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc4c(c3)OCO4)nc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole?
The InChIKey is XPFOUQDKKBFKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2/c1-22-16(13-3-2-4-14(20)7-13)10-23-9-15(21-19(22)23)12-5-6-17-18(8-12)25-11-24-17/h2-10H,11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole?
2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole has a molecular weight of 396.24 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole is sourced from PubChem (CID 3482371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).