3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline

C24H17BrN2 — CID 46902782

IUPAC3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline
SMILESBrc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)cc1
InChIInChI=1S/C24H17BrN2/c25-20-12-10-19(11-13-20)23-22(16-17-6-2-1-3-7-17)27-15-14-18-8-4-5-9-21(18)24(27)26-23/h1-15H,16H2
InChIKeyMXCLZEOQTNMXRL-UHFFFAOYSA-N
MW413.32 g/mol
LogP6.51
Rot. Bonds3

About 3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline

3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline (PubChem CID 46902782) has the molecular formula C24H17BrN2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline
PubChem CID46902782
Molecular FormulaC24H17BrN2
Molecular Weight413.32 g/mol
Exact Mass412.06
IUPAC Name3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline
SMILESBrc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)cc1
InChIInChI=1S/C24H17BrN2/c25-20-12-10-19(11-13-20)23-22(16-17-6-2-1-3-7-17)27-15-14-18-8-4-5-9-21(18)24(27)26-23/h1-15H,16H2
InChIKeyMXCLZEOQTNMXRL-UHFFFAOYSA-N
XLogP6.51
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
3-(Diphenylphosphinothioyl)-2-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]imidazo[1,2-a]pyridiniumbromide
CID 46930969
2-(4-Bromophenyl)imidazo(1,2-a)pyridine-3-methanamine
CID 2757120
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
CID 837893
2-(4-Bromophenyl)imidazo[2,1-a]phthalazin-6-amine
CID 3673394
ML154 cation
CID 44634573
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341
6-(4-Benzylpiperazino)pyrido(3,2-e)pyrrolo(1,2-a)pyrazine
CID 9841032
2-[4-(4-Carbamimidoylphenyl)phenyl]imidazo[1,2-a]pyridine-6-carboximidamide
CID 9975423

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline (CID 46902782) is 3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline is Brc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline?
The InChIKey is MXCLZEOQTNMXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2/c25-20-12-10-19(11-13-20)23-22(16-17-6-2-1-3-7-17)27-15-14-18-8-4-5-9-21(18)24(27)26-23/h1-15H,16H2.
What are the key properties of 3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline?
3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline has a molecular weight of 413.32 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-bromophenyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 46902782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).