(3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one

C144H150Cl4F8N18O6 — CID 162264148

IUPAC(3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(Cn2cncc2CC[C@@H]2CCN(Cc3cc(Cl)ccc3F)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(Cc3cc(F)cc(Cl)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(Cc3cc(F)cc(F)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(Cc3cc(Cl)ccc3F)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(Cc3cc(F)cc(Cl)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(Cc3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/4C24H25ClFN3O.2C24H25F2N3O/c2*1-17-2-4-18(5-3-17)14-29-16-27-13-22(29)8-6-19-10-11-28(24(19)30)15-20-12-21(25)7-9-23(20)26;4*1-17-2-4-18(5-3-17)14-29-16-27-13-23(29)7-6-20-8-9-28(24(20)30)15-19-10-21(25)12-22(26)11-19/h2*2-5,7,9,12-13,16,19H,6,8,10-11,14-15H2,1H3;4*2-5,10-13,16,20H,6-9,14-15H2,1H3/t2*19-;4*20-/m101010/s1
InChIKeyZZQXAEHVUZMCCJ-CMIVQLCLSA-N
MW2522.70 g/mol
LogP29.05
Rot. Bonds42

About (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one

(3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 162264148) has the molecular formula C144H150Cl4F8N18O6 and a molecular weight of 2522.70 g/mol. Its IUPAC name is (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one
PubChem CID162264148
Molecular FormulaC144H150Cl4F8N18O6
Molecular Weight2522.70 g/mol
Exact Mass2519.06
IUPAC Name(3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(Cn2cncc2CC[C@@H]2CCN(Cc3cc(Cl)ccc3F)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(Cc3cc(F)cc(Cl)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(Cc3cc(F)cc(F)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(Cc3cc(Cl)ccc3F)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(Cc3cc(F)cc(Cl)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(Cc3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/4C24H25ClFN3O.2C24H25F2N3O/c2*1-17-2-4-18(5-3-17)14-29-16-27-13-22(29)8-6-19-10-11-28(24(19)30)15-20-12-21(25)7-9-23(20)26;4*1-17-2-4-18(5-3-17)14-29-16-27-13-23(29)7-6-20-8-9-28(24(20)30)15-19-10-21(25)12-22(26)11-19/h2*2-5,7,9,12-13,16,19H,6,8,10-11,14-15H2,1H3;4*2-5,10-13,16,20H,6-9,14-15H2,1H3/t2*19-;4*20-/m101010/s1
InChIKeyZZQXAEHVUZMCCJ-CMIVQLCLSA-N
XLogP29.05
TPSA228.78 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002522.70
LogP ≤ 529.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one
CID 58120194
(3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one
CID 58120202
(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one
CID 58120205
(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one
CID 58120231
2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide)
CID 157278619
(3R)-1-[(2,3-dichlorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(2,3-dichlorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(2,3-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(2,3-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3-methylphenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-methylphenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one
CID 157474353
(3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-dichlorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-dichlorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one
CID 158939196
(3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one)
CID 159325965
N-(1-benzyl-4-methylimidazol-2-yl)benzamide;2-chloro-N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]benzamide;N-(1,4-dimethylimidazol-2-yl)-2-fluorobenzamide;N-(1,5-dimethyl-4-phenylimidazol-2-yl)-2-fluorobenzamide;N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]-3-methylbenzamide;N-(1-ethyl-4-phenylimidazol-2-yl)-4-methylbenzamide;4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide
CID 159360159
tris(2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide);tris(2-[4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)
CID 159873012
(3R)-1-[(2,3-dichlorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(2,3-dichlorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-dichlorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-dichlorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(2,3-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(2,3-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3-methylphenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one
CID 160225414
(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-chloro-5-fluorophenyl)methyl]pyrrolidin-2-one;(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one;(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(2,3-dichlorophenyl)methyl]pyrrolidin-2-one;(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3,5-dichlorophenyl)methyl]pyrrolidin-2-one;(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-one;ethane
CID 161984404

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one (CID 162264148) is (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one is Cc1ccc(Cn2cncc2CC[C@@H]2CCN(Cc3cc(Cl)ccc3F)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(Cc3cc(F)cc(Cl)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(Cc3cc(F)cc(F)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(Cc3cc(Cl)ccc3F)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(Cc3cc(F)cc(Cl)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(Cc3cc(F)cc(F)c3)C2=O)cc1.
What is the InChIKey of (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is ZZQXAEHVUZMCCJ-CMIVQLCLSA-N. The full InChI is InChI=1S/4C24H25ClFN3O.2C24H25F2N3O/c2*1-17-2-4-18(5-3-17)14-29-16-27-13-22(29)8-6-19-10-11-28(24(19)30)15-20-12-21(25)7-9-23(20)26;4*1-17-2-4-18(5-3-17)14-29-16-27-13-23(29)7-6-20-8-9-28(24(20)30)15-19-10-21(25)12-22(26)11-19/h2*2-5,7,9,12-13,16,19H,6,8,10-11,14-15H2,1H3;4*2-5,10-13,16,20H,6-9,14-15H2,1H3/t2*19-;4*20-/m101010/s1.
What are the key properties of (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one?
(3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 2522.70 g/mol, XLogP of 29.05, 42 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3-chloro-5-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3R)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one;(3S)-1-[(3,5-difluorophenyl)methyl]-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 162264148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).