2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide

C17H14BrN2O- — CID 21239826

IUPAC2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide
SMILESCOc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1.[Br-]
InChIInChI=1S/C17H14N2O.BrH/c1-20-14-8-6-12(7-9-14)16-11-19-10-13-4-2-3-5-15(13)17(19)18-16;/h2-9,11H,10H2,1H3;1H/p-1
InChIKeyYMDLECWJULHGKR-UHFFFAOYSA-M
MW342.22 g/mol
LogP0.59
Rot. Bonds2

About 2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide

2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide (PubChem CID 21239826) has the molecular formula C17H14BrN2O- and a molecular weight of 342.22 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide
PubChem CID21239826
Molecular FormulaC17H14BrN2O-
Molecular Weight342.22 g/mol
Exact Mass341.03
IUPAC Name2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide
SMILESCOc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1.[Br-]
InChIInChI=1S/C17H14N2O.BrH/c1-20-14-8-6-12(7-9-14)16-11-19-10-13-4-2-3-5-15(13)17(19)18-16;/h2-9,11H,10H2,1H3;1H/p-1
InChIKeyYMDLECWJULHGKR-UHFFFAOYSA-M
XLogP0.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
CID 12948315
5-(4-methoxyphenyl)-3-thia-1,8-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-2(6),4,8,10,12,14-hexaen-7-one
CID 19588009
2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrobromide
CID 44789328
1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole
CID 118529894
CID 139221499
CID 139221499
3-(2-cyclopentyloxyphenyl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 127243617
3-ethyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-a][2,3]benzodiazepine
CID 17028236
2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine;hydrobromide
CID 19234166
[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-a][2,3]benzodiazepin-3-yl]methanamine
CID 51047614
2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134179071
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
2-bromo-3-(4-methoxyphenyl)-1H-indene
CID 157190744

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide?
The IUPAC name of 2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide (CID 21239826) is 2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide.
What is the SMILES notation for 2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide?
The canonical SMILES for 2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide is COc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1.[Br-].
What is the InChIKey of 2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide?
The InChIKey is YMDLECWJULHGKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14N2O.BrH/c1-20-14-8-6-12(7-9-14)16-11-19-10-13-4-2-3-5-15(13)17(19)18-16;/h2-9,11H,10H2,1H3;1H/p-1.
What are the key properties of 2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide?
2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide has a molecular weight of 342.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5H-imidazo[2,1-a]isoindole bromide is sourced from PubChem (CID 21239826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).