ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane

C19H26BrN3O2 — CID 142157218

IUPACethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane
SMILESCCC.CCOC(=O)c1cnc2n1CCN2c1c(C)cc(C)cc1Br
InChIInChI=1S/C16H18BrN3O2.C3H8/c1-4-22-15(21)13-9-18-16-19(13)5-6-20(16)14-11(3)7-10(2)8-12(14)17;1-3-2/h7-9H,4-6H2,1-3H3;3H2,1-2H3
InChIKeyGQVBDFIZJXXWDZ-UHFFFAOYSA-N
MW408.34 g/mol
LogP5.01
Rot. Bonds3

About ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane

ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane (PubChem CID 142157218) has the molecular formula C19H26BrN3O2 and a molecular weight of 408.34 g/mol. Its IUPAC name is ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane.

Molecular Properties

Compound Nameethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane
PubChem CID142157218
Molecular FormulaC19H26BrN3O2
Molecular Weight408.34 g/mol
Exact Mass407.12
IUPAC Nameethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane
SMILESCCC.CCOC(=O)c1cnc2n1CCN2c1c(C)cc(C)cc1Br
InChIInChI=1S/C16H18BrN3O2.C3H8/c1-4-22-15(21)13-9-18-16-19(13)5-6-20(16)14-11(3)7-10(2)8-12(14)17;1-3-2/h7-9H,4-6H2,1-3H3;3H2,1-2H3
InChIKeyGQVBDFIZJXXWDZ-UHFFFAOYSA-N
XLogP5.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.34
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane with MolForge

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Related Compounds

ethyl 2-[2-amino-3-(2-bromo-4,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium-1-yl]acetate bromide
CID 87831052
ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 139230217
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
ethyl (2E)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]hydrazinylidene]acetate
CID 177044461
ethyl 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-4-carboxylate
CID 132511970
ethyl 2-bromo-6-formyl-4-methylbenzoate
CID 171010410
ethyl 3-(4-bromophenyl)triazole-4-carboxylate
CID 71266147
ethyl 1-amino-4-methylpyrrole-2-carboxylate
CID 90069465
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
ethyl 2-bromo-4,6-dichlorobenzoate
CID 165358373
ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 135272181
ethyl 7-bromo-1,5-dimethylindole-3-carboxylate
CID 137376322

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane?
The IUPAC name of ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane (CID 142157218) is ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane.
What is the SMILES notation for ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane?
The canonical SMILES for ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane is CCC.CCOC(=O)c1cnc2n1CCN2c1c(C)cc(C)cc1Br.
What is the InChIKey of ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane?
The InChIKey is GQVBDFIZJXXWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2.C3H8/c1-4-22-15(21)13-9-18-16-19(13)5-6-20(16)14-11(3)7-10(2)8-12(14)17;1-3-2/h7-9H,4-6H2,1-3H3;3H2,1-2H3.
What are the key properties of ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane?
ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane has a molecular weight of 408.34 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-bromo-4,6-dimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate;propane is sourced from PubChem (CID 142157218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).