(2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide

C24H20Cl2F3N5O5S — CID 11978508

IUPAC(2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide
SMILESC[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CC[C@@H]3C(N)=O)n21
InChIInChI=1S/C24H20Cl2F3N5O5S/c1-23(11-13-2-4-17(5-3-13)39-24(27,28)29)21(36)33(16-9-14(25)8-15(26)10-16)22-31-12-19(34(22)23)40(37,38)32-7-6-18(32)20(30)35/h2-5,8-10,12,18H,6-7,11H2,1H3,(H2,30,35)/t18-,23-/m1/s1
InChIKeyFMVZTSLYFYKACF-WZONZLPQSA-N
MW618.42 g/mol
LogP3.97
Rot. Bonds7

About (2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide

(2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide (PubChem CID 11978508) has the molecular formula C24H20Cl2F3N5O5S and a molecular weight of 618.42 g/mol. Its IUPAC name is (2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide
PubChem CID11978508
Molecular FormulaC24H20Cl2F3N5O5S
Molecular Weight618.42 g/mol
Exact Mass617.05
IUPAC Name(2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide
SMILESC[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CC[C@@H]3C(N)=O)n21
InChIInChI=1S/C24H20Cl2F3N5O5S/c1-23(11-13-2-4-17(5-3-13)39-24(27,28)29)21(36)33(16-9-14(25)8-15(26)10-16)22-31-12-19(34(22)23)40(37,38)32-7-6-18(32)20(30)35/h2-5,8-10,12,18H,6-7,11H2,1H3,(H2,30,35)/t18-,23-/m1/s1
InChIKeyFMVZTSLYFYKACF-WZONZLPQSA-N
XLogP3.97
TPSA127.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide
CID 59923616
7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane
CID 171631564
(5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one
CID 11585072
1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[(4-(214C)pyrimidin-5-ylphenyl)methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide
CID 56834752
1-[7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[(4-pyrimidin-5-ylphenyl)methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxamide
CID 18337811
(2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide;(2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxylic acid;(2S)-1-[(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxylic acid;(2S)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[(4-pyrimidin-5-ylphenyl)methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxylic acid;methane
CID 159428696
7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-carboxylic acid
CID 87382292
[1-[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidin-4-yl] acetate
CID 18337802
(2S)-1-[(5R)-5-[[4-(4-aminopyrimidin-5-yl)phenyl]methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 59985281
3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
CID 18337952
1-[[1-[7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[(4-pyrimidin-5-ylphenyl)methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 20757785
(2S)-2-amino-N-(2-hydroxyethyl)propanamide;(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonyl chloride;(2S)-2-[[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylamino]-N-(2-hydroxyethyl)propanamide;(2S)-N-(2-hydroxyethyl)-2-(methylamino)propanamide;hydrochloride
CID 91099838

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide?
The IUPAC name of (2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide (CID 11978508) is (2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide is C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CC[C@@H]3C(N)=O)n21.
What is the InChIKey of (2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide?
The InChIKey is FMVZTSLYFYKACF-WZONZLPQSA-N. The full InChI is InChI=1S/C24H20Cl2F3N5O5S/c1-23(11-13-2-4-17(5-3-13)39-24(27,28)29)21(36)33(16-9-14(25)8-15(26)10-16)22-31-12-19(34(22)23)40(37,38)32-7-6-18(32)20(30)35/h2-5,8-10,12,18H,6-7,11H2,1H3,(H2,30,35)/t18-,23-/m1/s1.
What are the key properties of (2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide?
(2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide has a molecular weight of 618.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-3-yl]sulfonylazetidine-2-carboxamide is sourced from PubChem (CID 11978508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).