1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol

C117H94Cl2FN17O5S5 — CID 159110371

About 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol

1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol (PubChem CID 159110371) has the molecular formula C117H94Cl2FN17O5S5 and a molecular weight of 2068.39 g/mol. Its IUPAC name is 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol.

Molecular Properties

• Compound Name: 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol
• PubChem CID: 159110371
• Molecular Formula: C117H94Cl2FN17O5S5
• Molecular Weight: 2068.39 g/mol
• Exact Mass: 2065.56
• IUPAC Name: 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol
• SMILES: CC(=O)Cc1cc(-c2cc(C(c3ccc(Cl)cc3)n3cccn3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Cc1cc(-c2cc([C@@H](c3ccc(Cl)cc3)N(C)C)c(-c3ncc[nH]3)s2)ccn1.Cc1sc(-c2ccncc2)cc1C(O)c1ccc2ccccc2c1.OC(c1cc(-c2ccncc2)sc1-c1ncc[nH]1)c1c(F)ccc2ccccc12.OC(c1ccc(-c2ccncc2)cc1)c1cc(-c2ccncc2)sc1C1=NN=CC1
• InChI: InChI=1S/C25H20ClN5OS.C24H23ClN4OS.C24H18N4OS.C23H16FN3OS.C21H17NOS/c1-16(32)13-20-14-18(7-9-27-20)22-15-21(24(33-22)25-28-10-11-29-25)23(31-12-2-8-30-31)17-3-5-19(26)6-4-17;1-15(30)12-19-13-17(8-9-26-19)21-14-20(23(31-21)24-27-10-11-28-24)22(29(2)3)16-4-6-18(25)7-5-16;29-23(19-3-1-16(2-4-19)17-5-10-25-11-6-17)20-15-22(18-7-12-26-13-8-18)30-24(20)21-9-14-27-28-21;24-18-6-5-14-3-1-2-4-16(14)20(18)21(28)17-13-19(15-7-9-25-10-8-15)29-22(17)23-26-11-12-27-23;1-14-19(13-20(24-14)16-8-10-22-11-9-16)21(23)18-7-6-15-4-2-3-5-17(15)12-18/h2-12,14-15,23H,13H2,1H3,(H,28,29);4-11,13-14,22H,12H2,1-3H3,(H,27,28);1-8,10-15,23,29H,9H2;1-13,21,28H,(H,26,27);2-13,21,23H,1H3/t;22-;;;/m.1.../s1
• InChIKey: KEKKOMDHOPYBDF-RUIDDIIFSA-N
• XLogP: 27.52
• TPSA: 303.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2068.39
LogP ≤ 5	27.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol?

The IUPAC name of 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol (CID 159110371) is 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol.

What is the SMILES notation for 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol?

The canonical SMILES for 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol is CC(=O)Cc1cc(-c2cc(C(c3ccc(Cl)cc3)n3cccn3)c(-c3ncc[nH]3)s2)ccn1.CC(=O)Cc1cc(-c2cc([C@@H](c3ccc(Cl)cc3)N(C)C)c(-c3ncc[nH]3)s2)ccn1.Cc1sc(-c2ccncc2)cc1C(O)c1ccc2ccccc2c1.OC(c1cc(-c2ccncc2)sc1-c1ncc[nH]1)c1c(F)ccc2ccccc12.OC(c1ccc(-c2ccncc2)cc1)c1cc(-c2ccncc2)sc1C1=NN=CC1.

What is the InChIKey of 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol?

The InChIKey is KEKKOMDHOPYBDF-RUIDDIIFSA-N. The full InChI is InChI=1S/C25H20ClN5OS.C24H23ClN4OS.C24H18N4OS.C23H16FN3OS.C21H17NOS/c1-16(32)13-20-14-18(7-9-27-20)22-15-21(24(33-22)25-28-10-11-29-25)23(31-12-2-8-30-31)17-3-5-19(26)6-4-17;1-15(30)12-19-13-17(8-9-26-19)21-14-20(23(31-21)24-27-10-11-28-24)22(29(2)3)16-4-6-18(25)7-5-16;29-23(19-3-1-16(2-4-19)17-5-10-25-11-6-17)20-15-22(18-7-12-26-13-8-18)30-24(20)21-9-14-27-28-21;24-18-6-5-14-3-1-2-4-16(14)20(18)21(28)17-13-19(15-7-9-25-10-8-15)29-22(17)23-26-11-12-27-23;1-14-19(13-20(24-14)16-8-10-22-11-9-16)21(23)18-7-6-15-4-2-3-5-17(15)12-18/h2-12,14-15,23H,13H2,1H3,(H,28,29);4-11,13-14,22H,12H2,1-3H3,(H,27,28);1-8,10-15,23,29H,9H2;1-13,21,28H,(H,26,27);2-13,21,23H,1H3/t;22-;;;/m.1.../s1.

What are the key properties of 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol?

1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol has a molecular weight of 2068.39 g/mol, XLogP of 27.52, 26 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[(R)-(4-chlorophenyl)-(dimethylamino)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;1-[4-[4-[(4-chlorophenyl)-pyrazol-1-ylmethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-2-pyridinyl]propan-2-one;(2-fluoronaphthalen-1-yl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(2-methyl-5-pyridin-4-ylthiophen-3-yl)-naphthalen-2-ylmethanol;[2-(4H-pyrazol-3-yl)-5-pyridin-4-ylthiophen-3-yl]-(4-pyridin-4-ylphenyl)methanol is sourced from PubChem (CID 159110371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).