(5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C139H116Cl2F9N15O5 — CID 159865155

IUPAC(5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCc1ccc2ccccc2c1COC[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COC2c4ccccc4CCc4ccccc42)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2c(Cl)cccc2Cl)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccc(C(F)(F)F)c2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccc(F)c2)CC3)cc1
InChIInChI=1S/C33H28FN3O.C30H26FN3O.C26H21F4N3O.C25H20Cl2FN3O.C25H21F2N3O/c34-26-13-11-24(12-14-26)31-32(25-17-19-35-20-18-25)37-27(15-16-30(37)36-31)21-38-33-28-7-3-1-5-22(28)9-10-23-6-2-4-8-29(23)33;1-20-6-7-21-4-2-3-5-26(21)27(20)19-35-18-25-12-13-28-33-29(22-8-10-24(31)11-9-22)30(34(25)28)23-14-16-32-17-15-23;27-21-6-4-18(5-7-21)24-25(19-10-12-31-13-11-19)33-22(8-9-23(33)32-24)16-34-15-17-2-1-3-20(14-17)26(28,29)30;26-21-2-1-3-22(27)20(21)15-32-14-19-8-9-23-30-24(16-4-6-18(28)7-5-16)25(31(19)23)17-10-12-29-13-11-17;26-20-6-4-18(5-7-20)24-25(19-10-12-28-13-11-19)30-22(8-9-23(30)29-24)16-31-15-17-2-1-3-21(27)14-17/h1-8,11-14,17-20,27,33H,9-10,15-16,21H2;2-11,14-17,25H,12-13,18-19H2,1H3;1-7,10-14,22H,8-9,15-16H2;1-7,10-13,19H,8-9,14-15H2;1-7,10-14,22H,8-9,15-16H2/t27-;25-;22-;19-;22-/m00000/s1
InChIKeyNRQHFZKPSSXJFM-UVTGQRFWSA-N
MW2318.44 g/mol
LogP32.89
Rot. Bonds29

About (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 159865155) has the molecular formula C139H116Cl2F9N15O5 and a molecular weight of 2318.44 g/mol. Its IUPAC name is (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID159865155
Molecular FormulaC139H116Cl2F9N15O5
Molecular Weight2318.44 g/mol
Exact Mass2315.85
IUPAC Name(5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCc1ccc2ccccc2c1COC[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COC2c4ccccc4CCc4ccccc42)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2c(Cl)cccc2Cl)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccc(C(F)(F)F)c2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccc(F)c2)CC3)cc1
InChIInChI=1S/C33H28FN3O.C30H26FN3O.C26H21F4N3O.C25H20Cl2FN3O.C25H21F2N3O/c34-26-13-11-24(12-14-26)31-32(25-17-19-35-20-18-25)37-27(15-16-30(37)36-31)21-38-33-28-7-3-1-5-22(28)9-10-23-6-2-4-8-29(23)33;1-20-6-7-21-4-2-3-5-26(21)27(20)19-35-18-25-12-13-28-33-29(22-8-10-24(31)11-9-22)30(34(25)28)23-14-16-32-17-15-23;27-21-6-4-18(5-7-21)24-25(19-10-12-31-13-11-19)33-22(8-9-23(33)32-24)16-34-15-17-2-1-3-20(14-17)26(28,29)30;26-21-2-1-3-22(27)20(21)15-32-14-19-8-9-23-30-24(16-4-6-18(28)7-5-16)25(31(19)23)17-10-12-29-13-11-17;26-20-6-4-18(5-7-20)24-25(19-10-12-28-13-11-19)30-22(8-9-23(30)29-24)16-31-15-17-2-1-3-21(27)14-17/h1-8,11-14,17-20,27,33H,9-10,15-16,21H2;2-11,14-17,25H,12-13,18-19H2,1H3;1-7,10-14,22H,8-9,15-16H2;1-7,10-13,19H,8-9,14-15H2;1-7,10-14,22H,8-9,15-16H2/t27-;25-;22-;19-;22-/m00000/s1
InChIKeyNRQHFZKPSSXJFM-UVTGQRFWSA-N
XLogP32.89
TPSA199.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002318.44
LogP ≤ 532.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole with MolForge

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Related Compounds

(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 157335215
(5S)-5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 159849472
(5S)-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-methoxyphenyl)methoxymethyl]-2-(4-methylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-2-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 159914593
N-benzyl-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;(5S)-2-(4-fluorophenyl)-5-[(4-phenylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline;1-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-3,4-dihydro-2H-quinoline
CID 157607260
N-[(2-chlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(2,4-dichlorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;N-[(3-fluorophenyl)methyl]-1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine;1-[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylmethanamine;2-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 158480875
(5S)-5-[(4-tert-butylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(naphthalen-1-ylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 159814003
(5S)-5-[(4-benzylpiperidin-1-yl)methyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]-2,3-dihydroindole
CID 160148666

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 159865155) is (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Cc1ccc2ccccc2c1COC[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COC2c4ccccc4CCc4ccccc42)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2c(Cl)cccc2Cl)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccc(C(F)(F)F)c2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccc(F)c2)CC3)cc1.
What is the InChIKey of (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is NRQHFZKPSSXJFM-UVTGQRFWSA-N. The full InChI is InChI=1S/C33H28FN3O.C30H26FN3O.C26H21F4N3O.C25H20Cl2FN3O.C25H21F2N3O/c34-26-13-11-24(12-14-26)31-32(25-17-19-35-20-18-25)37-27(15-16-30(37)36-31)21-38-33-28-7-3-1-5-22(28)9-10-23-6-2-4-8-29(23)33;1-20-6-7-21-4-2-3-5-26(21)27(20)19-35-18-25-12-13-28-33-29(22-8-10-24(31)11-9-22)30(34(25)28)23-14-16-32-17-15-23;27-21-6-4-18(5-7-21)24-25(19-10-12-31-13-11-19)33-22(8-9-23(33)32-24)16-34-15-17-2-1-3-20(14-17)26(28,29)30;26-21-2-1-3-22(27)20(21)15-32-14-19-8-9-23-30-24(16-4-6-18(28)7-5-16)25(31(19)23)17-10-12-29-13-11-17;26-20-6-4-18(5-7-20)24-25(19-10-12-28-13-11-19)30-22(8-9-23(30)29-24)16-31-15-17-2-1-3-21(27)14-17/h1-8,11-14,17-20,27,33H,9-10,15-16,21H2;2-11,14-17,25H,12-13,18-19H2,1H3;1-7,10-14,22H,8-9,15-16H2;1-7,10-13,19H,8-9,14-15H2;1-7,10-14,22H,8-9,15-16H2/t27-;25-;22-;19-;22-/m00000/s1.
What are the key properties of (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 2318.44 g/mol, XLogP of 32.89, 29 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2,6-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylnaphthalen-1-yl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 159865155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).