1-bromo-3-phenylimidazo[5,1-a]isoquinoline

C17H11BrN2 — CID 132583639

IUPAC1-bromo-3-phenylimidazo[5,1-a]isoquinoline
SMILESBrc1nc(-c2ccccc2)n2ccc3ccccc3c12
InChIInChI=1S/C17H11BrN2/c18-16-15-14-9-5-4-6-12(14)10-11-20(15)17(19-16)13-7-2-1-3-8-13/h1-11H
InChIKeyLMSJJPDCXFDRPK-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.92
Rot. Bonds1

About 1-bromo-3-phenylimidazo[5,1-a]isoquinoline

1-bromo-3-phenylimidazo[5,1-a]isoquinoline (PubChem CID 132583639) has the molecular formula C17H11BrN2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-bromo-3-phenylimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1-bromo-3-phenylimidazo[5,1-a]isoquinoline
PubChem CID132583639
Molecular FormulaC17H11BrN2
Molecular Weight323.19 g/mol
Exact Mass322.01
IUPAC Name1-bromo-3-phenylimidazo[5,1-a]isoquinoline
SMILESBrc1nc(-c2ccccc2)n2ccc3ccccc3c12
InChIInChI=1S/C17H11BrN2/c18-16-15-14-9-5-4-6-12(14)10-11-20(15)17(19-16)13-7-2-1-3-8-13/h1-11H
InChIKeyLMSJJPDCXFDRPK-UHFFFAOYSA-N
XLogP4.92
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-N,N-dimethyl-3-phenylimidazo[1,5-a]pyridin-8-amine
CID 84744532
2-methyl-3-phenylimidazo[2,1-a]isoquinoline
CID 58517681
1-bromo-3-phenylimidazo[1,5-a]pyridin-7-ol
CID 117251893
3-methyl-2-phenylimidazo[2,1-a]isoquinoline
CID 757851
1-bromo-N,N-dimethyl-3-phenylimidazo[1,5-a]pyridin-7-amine
CID 84744531
10-phenyl-9,11,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8(19),9,12,14(18),15-nonaene
CID 10087308
1-bromo-6-methyl-3-phenylimidazo[1,5-a]pyridine
CID 84743668
2-bromo-3-phenylimidazo[1,2-a]pyridine
CID 102101596
2-bromo-3-phenylimidazo[1,2-a]pyridine
CID 139193249
9-phenylbenzimidazolo[2,1-a]isoquinoline
CID 58518009
4-bromo-1-(methoxymethyl)-2,5-diphenylimidazole
CID 86178563
3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068529

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-phenylimidazo[5,1-a]isoquinoline?
The IUPAC name of 1-bromo-3-phenylimidazo[5,1-a]isoquinoline (CID 132583639) is 1-bromo-3-phenylimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 1-bromo-3-phenylimidazo[5,1-a]isoquinoline?
The canonical SMILES for 1-bromo-3-phenylimidazo[5,1-a]isoquinoline is Brc1nc(-c2ccccc2)n2ccc3ccccc3c12.
What is the InChIKey of 1-bromo-3-phenylimidazo[5,1-a]isoquinoline?
The InChIKey is LMSJJPDCXFDRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2/c18-16-15-14-9-5-4-6-12(14)10-11-20(15)17(19-16)13-7-2-1-3-8-13/h1-11H.
What are the key properties of 1-bromo-3-phenylimidazo[5,1-a]isoquinoline?
1-bromo-3-phenylimidazo[5,1-a]isoquinoline has a molecular weight of 323.19 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-phenylimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 132583639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).