6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide

C22H29F3N4O — CID 20780037

IUPAC6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C
InChIInChI=1S/C22H29F3N4O/c1-6-8-27(13-22(23,24)25)20(30)19-17(7-2)26-21-28(9-10-29(19)21)18-15(4)11-14(3)12-16(18)5/h11-12H,6-10,13H2,1-5H3
InChIKeyLQEITOXZZODRDN-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.94
Rot. Bonds6

About 6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide

6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide (PubChem CID 20780037) has the molecular formula C22H29F3N4O and a molecular weight of 422.50 g/mol. Its IUPAC name is 6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
PubChem CID20780037
Molecular FormulaC22H29F3N4O
Molecular Weight422.50 g/mol
Exact Mass422.23
IUPAC Name6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C
InChIInChI=1S/C22H29F3N4O/c1-6-8-27(13-22(23,24)25)20(30)19-17(7-2)26-21-28(9-10-29(19)21)18-15(4)11-14(3)12-16(18)5/h11-12H,6-10,13H2,1-5H3
InChIKeyLQEITOXZZODRDN-UHFFFAOYSA-N
XLogP4.94
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
The IUPAC name of 6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide (CID 20780037) is 6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide.
What is the SMILES notation for 6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
The canonical SMILES for 6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide is CCCN(CC(F)(F)F)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C.
What is the InChIKey of 6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
The InChIKey is LQEITOXZZODRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N4O/c1-6-8-27(13-22(23,24)25)20(30)19-17(7-2)26-21-28(9-10-29(19)21)18-15(4)11-14(3)12-16(18)5/h11-12H,6-10,13H2,1-5H3.
What are the key properties of 6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide is sourced from PubChem (CID 20780037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).