(4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine

C101H72Cl6N18O4S6 — CID 158735637

About (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine

(4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine (PubChem CID 158735637) has the molecular formula C101H72Cl6N18O4S6 and a molecular weight of 2006.93 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine
• PubChem CID: 158735637
• Molecular Formula: C101H72Cl6N18O4S6
• Molecular Weight: 2006.93 g/mol
• Exact Mass: 2002.24
• IUPAC Name: (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine
• SMILES: Cc1cc(-c2cc(C(O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.OC(c1ccc(Cl)cc1)c1cc(-c2ccnc(Cl)c2)sc1-c1ncc[nH]1.OC(c1ccc(Cl)cc1)c1cc(-c2ccnc3[nH]ccc23)sc1-c1ncc[nH]1.OC(c1ccc(Cl)cc1)c1cc(-c2ccnc3ccsc23)sc1-c1ncc[nH]1.[C-]#[N+]c1c(-c2ccnc(N)c2)sc(-c2ncc[nH]2)c1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C21H15ClN4OS.C21H14ClN3OS2.C20H14ClN5S.C20H16ClN3OS.C19H13Cl2N3OS/c22-13-3-1-12(2-4-13)18(27)16-11-17(28-19(16)21-25-9-10-26-21)14-5-7-23-20-15(14)6-8-24-20;22-13-3-1-12(2-4-13)18(26)15-11-17(28-20(15)21-24-8-9-25-21)14-5-7-23-16-6-10-27-19(14)16;1-23-17-15(10-12-2-4-14(21)5-3-12)19(20-25-8-9-26-20)27-18(17)13-6-7-24-16(22)11-13;1-12-10-14(6-7-22-12)17-11-16(19(26-17)20-23-8-9-24-20)18(25)13-2-4-15(21)5-3-13;20-13-3-1-11(2-4-13)17(25)14-10-15(12-5-6-22-16(21)9-12)26-18(14)19-23-7-8-24-19/h1-11,18,27H,(H,23,24)(H,25,26);1-11,18,26H,(H,24,25);2-9,11H,10H2,(H2,22,24)(H,25,26);2-11,18,25H,1H3,(H,23,24);1-10,17,25H,(H,23,24)
• InChIKey: ILQJXGVJNZMTMK-UHFFFAOYSA-N
• XLogP: 27.98
• TPSA: 334.94 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.93
LogP ≤ 5	27.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine?

The IUPAC name of (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine (CID 158735637) is (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine.

What is the SMILES notation for (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine?

The canonical SMILES for (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine is Cc1cc(-c2cc(C(O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.OC(c1ccc(Cl)cc1)c1cc(-c2ccnc(Cl)c2)sc1-c1ncc[nH]1.OC(c1ccc(Cl)cc1)c1cc(-c2ccnc3[nH]ccc23)sc1-c1ncc[nH]1.OC(c1ccc(Cl)cc1)c1cc(-c2ccnc3ccsc23)sc1-c1ncc[nH]1.[C-]#[N+]c1c(-c2ccnc(N)c2)sc(-c2ncc[nH]2)c1Cc1ccc(Cl)cc1.

What is the InChIKey of (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine?

The InChIKey is ILQJXGVJNZMTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4OS.C21H14ClN3OS2.C20H14ClN5S.C20H16ClN3OS.C19H13Cl2N3OS/c22-13-3-1-12(2-4-13)18(27)16-11-17(28-19(16)21-25-9-10-26-21)14-5-7-23-20-15(14)6-8-24-20;22-13-3-1-12(2-4-13)18(26)15-11-17(28-20(15)21-24-8-9-25-21)14-5-7-23-16-6-10-27-19(14)16;1-23-17-15(10-12-2-4-14(21)5-3-12)19(20-25-8-9-26-20)27-18(17)13-6-7-24-16(22)11-13;1-12-10-14(6-7-22-12)17-11-16(19(26-17)20-23-8-9-24-20)18(25)13-2-4-15(21)5-3-13;20-13-3-1-11(2-4-13)17(25)14-10-15(12-5-6-22-16(21)9-12)26-18(14)19-23-7-8-24-19/h1-11,18,27H,(H,23,24)(H,25,26);1-11,18,26H,(H,24,25);2-9,11H,10H2,(H2,22,24)(H,25,26);2-11,18,25H,1H3,(H,23,24);1-10,17,25H,(H,23,24).

What are the key properties of (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine?

(4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine has a molecular weight of 2006.93 g/mol, XLogP of 27.98, 20 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[5-(2-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol;4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]pyridin-2-amine is sourced from PubChem (CID 158735637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).