6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione

C14H16BrClN2O2 — CID 118598856

IUPAC6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione
SMILESCC1(C)CCCCC12NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C14H16BrClN2O2/c1-13(2)5-3-4-6-14(13)17-11(19)10-9(16)7-8(15)12(20)18(10)14/h7H,3-6H2,1-2H3,(H,17,19)
InChIKeyULESAMPZQPMIBX-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.26
Rot. Bonds

About 6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione

6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione (PubChem CID 118598856) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione
PubChem CID118598856
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione
SMILESCC1(C)CCCCC12NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C14H16BrClN2O2/c1-13(2)5-3-4-6-14(13)17-11(19)10-9(16)7-8(15)12(20)18(10)14/h7H,3-6H2,1-2H3,(H,17,19)
InChIKeyULESAMPZQPMIBX-UHFFFAOYSA-N
XLogP3.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione (CID 118598856) is 6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione is CC1(C)CCCCC12NC(=O)c1c(Cl)cc(Br)c(=O)n12.
What is the InChIKey of 6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione?
The InChIKey is ULESAMPZQPMIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-13(2)5-3-4-6-14(13)17-11(19)10-9(16)7-8(15)12(20)18(10)14/h7H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione?
6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione has a molecular weight of 359.65 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-1',1'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-cyclohexane]-1,5-dione is sourced from PubChem (CID 118598856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).