ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate

C19H24BrN3O2 — CID 20780229

IUPACethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc2n1CCN2c1ccc(C(C)C)cc1Br
InChIInChI=1S/C19H24BrN3O2/c1-5-15-17(18(24)25-6-2)23-10-9-22(19(23)21-15)16-8-7-13(12(3)4)11-14(16)20/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyADOYIMJMJBWVRW-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.66
Rot. Bonds5

About ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate

ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate (PubChem CID 20780229) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate
PubChem CID20780229
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Nameethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc2n1CCN2c1ccc(C(C)C)cc1Br
InChIInChI=1S/C19H24BrN3O2/c1-5-15-17(18(24)25-6-2)23-10-9-22(19(23)21-15)16-8-7-13(12(3)4)11-14(16)20/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyADOYIMJMJBWVRW-UHFFFAOYSA-N
XLogP4.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate?
The IUPAC name of ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate (CID 20780229) is ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate?
The canonical SMILES for ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate is CCOC(=O)c1c(CC)nc2n1CCN2c1ccc(C(C)C)cc1Br.
What is the InChIKey of ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate?
The InChIKey is ADOYIMJMJBWVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-5-15-17(18(24)25-6-2)23-10-9-22(19(23)21-15)16-8-7-13(12(3)4)11-14(16)20/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate?
ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate has a molecular weight of 406.32 g/mol, XLogP of 4.66, 5 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-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate is sourced from PubChem (CID 20780229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).