9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline

C16H19BrN2O — CID 59626650

IUPAC9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1Br)-c1c(C(C)(C)C)ncn1CC2
InChIInChI=1S/C16H19BrN2O/c1-16(2,3)15-14-11-8-12(17)13(20-4)7-10(11)5-6-19(14)9-18-15/h7-9H,5-6H2,1-4H3
InChIKeySZTUAXGNGCAGSZ-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.17
Rot. Bonds1

About 9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline

9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 59626650) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID59626650
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1Br)-c1c(C(C)(C)C)ncn1CC2
InChIInChI=1S/C16H19BrN2O/c1-16(2,3)15-14-11-8-12(17)13(20-4)7-10(11)5-6-19(14)9-18-15/h7-9H,5-6H2,1-4H3
InChIKeySZTUAXGNGCAGSZ-UHFFFAOYSA-N
XLogP4.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 70681151
9-bromo-N,1-ditert-butyl-8-methoxy-N-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide;N-propan-2-ylpropan-2-amine
CID 159596737
10,14-dibromo-4-tert-butyl-15-methoxy-1,4-diazatetracyclo[9.8.0.02,9.012,17]nonadeca-2(9),10,12,14,16-pentaen-3-one
CID 58124858
8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 59626583
(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol
CID 91457483
4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene
CID 67809413
11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene
CID 88972697
8-bromo-1-(2-chlorophenyl)-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
CID 58124976
(Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine
CID 88990239
8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid
CID 57077858
8-bromo-7-methoxy-1-pyridazin-3-yl-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
CID 170971837
15-bromo-4-tert-butyl-16-methoxy-11-(1,3-thiazol-5-yl)-1,4-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaen-3-one
CID 66919875

Frequently Asked Questions

What is the IUPAC name of 9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 59626650) is 9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1Br)-c1c(C(C)(C)C)ncn1CC2.
What is the InChIKey of 9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is SZTUAXGNGCAGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-16(2,3)15-14-11-8-12(17)13(20-4)7-10(11)5-6-19(14)9-18-15/h7-9H,5-6H2,1-4H3.
What are the key properties of 9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 335.25 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1-tert-butyl-8-methoxy-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 59626650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).