(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C135H120F5N17O6 — CID 158791654

IUPAC(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](CN2CCOCC2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccc2)CC3)cc1.O=C(NC[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21)c1ccccc1
InChIInChI=1S/C37H30FN3O.C26H24FN3O2.C25H21FN4O.C25H22FN3O.C22H23FN4O/c38-32-18-16-27(17-19-32)35-36(28-22-24-39-25-23-28)41-33(20-21-34(41)40-35)26-42-37(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31;1-31-23-9-2-18(3-10-23)16-32-17-22-8-11-24-29-25(19-4-6-21(27)7-5-19)26(30(22)24)20-12-14-28-15-13-20;26-20-8-6-17(7-9-20)23-24(18-12-14-27-15-13-18)30-21(10-11-22(30)29-23)16-28-25(31)19-4-2-1-3-5-19;26-21-8-6-19(7-9-21)24-25(20-12-14-27-15-13-20)29-22(10-11-23(29)28-24)17-30-16-18-4-2-1-3-5-18;23-18-3-1-16(2-4-18)21-22(17-7-9-24-10-8-17)27-19(5-6-20(27)25-21)15-26-11-13-28-14-12-26/h1-19,22-25,33H,20-21,26H2;2-7,9-10,12-15,22H,8,11,16-17H2,1H3;1-9,12-15,21H,10-11,16H2,(H,28,31);1-9,12-15,22H,10-11,16-17H2;1-4,7-10,19H,5-6,11-15H2/t33-;22-;21-;22-;19-/m00000/s1
InChIKeyISITWILBQDWAGZ-WMOKQPPOSA-N
MW2171.55 g/mol
LogP27.41
Rot. Bonds30

About (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 158791654) has the molecular formula C135H120F5N17O6 and a molecular weight of 2171.55 g/mol. Its IUPAC name is (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID158791654
Molecular FormulaC135H120F5N17O6
Molecular Weight2171.55 g/mol
Exact Mass2169.95
IUPAC Name(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](CN2CCOCC2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccc2)CC3)cc1.O=C(NC[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21)c1ccccc1
InChIInChI=1S/C37H30FN3O.C26H24FN3O2.C25H21FN4O.C25H22FN3O.C22H23FN4O/c38-32-18-16-27(17-19-32)35-36(28-22-24-39-25-23-28)41-33(20-21-34(41)40-35)26-42-37(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31;1-31-23-9-2-18(3-10-23)16-32-17-22-8-11-24-29-25(19-4-6-21(27)7-5-19)26(30(22)24)20-12-14-28-15-13-20;26-20-8-6-17(7-9-20)23-24(18-12-14-27-15-13-18)30-21(10-11-22(30)29-23)16-28-25(31)19-4-2-1-3-5-19;26-21-8-6-19(7-9-21)24-25(20-12-14-27-15-13-20)29-22(10-11-23(29)28-24)17-30-16-18-4-2-1-3-5-18;23-18-3-1-16(2-4-18)21-22(17-7-9-24-10-8-17)27-19(5-6-20(27)25-21)15-26-11-13-28-14-12-26/h1-19,22-25,33H,20-21,26H2;2-7,9-10,12-15,22H,8,11,16-17H2,1H3;1-9,12-15,21H,10-11,16H2,(H,28,31);1-9,12-15,22H,10-11,16-17H2;1-4,7-10,19H,5-6,11-15H2/t33-;22-;21-;22-;19-/m00000/s1
InChIKeyISITWILBQDWAGZ-WMOKQPPOSA-N
XLogP27.41
TPSA232.04 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002171.55
LogP ≤ 527.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 158791654) is (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](CN2CCOCC2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccc2)CC3)cc1.O=C(NC[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21)c1ccccc1.
What is the InChIKey of (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is ISITWILBQDWAGZ-WMOKQPPOSA-N. The full InChI is InChI=1S/C37H30FN3O.C26H24FN3O2.C25H21FN4O.C25H22FN3O.C22H23FN4O/c38-32-18-16-27(17-19-32)35-36(28-22-24-39-25-23-28)41-33(20-21-34(41)40-35)26-42-37(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31;1-31-23-9-2-18(3-10-23)16-32-17-22-8-11-24-29-25(19-4-6-21(27)7-5-19)26(30(22)24)20-12-14-28-15-13-20;26-20-8-6-17(7-9-20)23-24(18-12-14-27-15-13-18)30-21(10-11-22(30)29-23)16-28-25(31)19-4-2-1-3-5-19;26-21-8-6-19(7-9-21)24-25(20-12-14-27-15-13-20)29-22(10-11-23(29)28-24)17-30-16-18-4-2-1-3-5-18;23-18-3-1-16(2-4-18)21-22(17-7-9-24-10-8-17)27-19(5-6-20(27)25-21)15-26-11-13-28-14-12-26/h1-19,22-25,33H,20-21,26H2;2-7,9-10,12-15,22H,8,11,16-17H2,1H3;1-9,12-15,21H,10-11,16H2,(H,28,31);1-9,12-15,22H,10-11,16-17H2;1-4,7-10,19H,5-6,11-15H2/t33-;22-;21-;22-;19-/m00000/s1.
What are the key properties of (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 2171.55 g/mol, XLogP of 27.41, 30 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(phenylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;4-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]morpholine;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 158791654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).