[5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide

C96H71Cl5N18O5S5 — CID 158704291

About [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide

[5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide (PubChem CID 158704291) has the molecular formula C96H71Cl5N18O5S5 and a molecular weight of 1894.34 g/mol. Its IUPAC name is [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 158704291
• Molecular Formula: C96H71Cl5N18O5S5
• Molecular Weight: 1894.34 g/mol
• Exact Mass: 1890.29
• IUPAC Name: [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide
• SMILES: Nc1cc(-c2cc(C(O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.OC(c1ccc(Cl)cc1)c1cc(-c2ccnnc2)sc1-c1ncc[nH]1.O[C@H](c1ccc(Cl)cc1)c1cc(-c2ccncc2)sc1-c1ncc[nH]1.[C-]#[N+]c1c(-c2ccnc(NC(C)=O)c2)sc(C)c1Cc1ccc(Cl)cc1.[C-]#[N+]c1cc(-c2cc(C(O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1
• InChI: InChI=1S/C20H13ClN4OS.C20H16ClN3OS.C19H15ClN4OS.C19H14ClN3OS.C18H13ClN4OS/c1-22-17-10-13(6-7-23-17)16-11-15(19(27-16)20-24-8-9-25-20)18(26)12-2-4-14(21)5-3-12;1-12-17(10-14-4-6-16(21)7-5-14)19(22-3)20(26-12)15-8-9-23-18(11-15)24-13(2)25;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;20-14-3-1-13(2-4-14)17(24)15-11-16(12-5-7-21-8-6-12)25-18(15)19-22-9-10-23-19;19-13-3-1-11(2-4-13)16(24)14-9-15(12-5-6-22-23-10-12)25-17(14)18-20-7-8-21-18/h2-11,18,26H,(H,24,25);4-9,11H,10H2,1-2H3,(H,23,24,25);1-10,17,25H,(H2,21,22)(H,23,24);1-11,17,24H,(H,22,23);1-10,16,24H,(H,20,21)/t;;;17-;/m...1./s1
• InChIKey: IHXREELEMSPXFB-SBKCZVGZSA-N
• XLogP: 25.14
• TPSA: 336.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1894.34
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide (CID 158704291) is [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide is Nc1cc(-c2cc(C(O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.OC(c1ccc(Cl)cc1)c1cc(-c2ccnnc2)sc1-c1ncc[nH]1.O[C@H](c1ccc(Cl)cc1)c1cc(-c2ccncc2)sc1-c1ncc[nH]1.[C-]#[N+]c1c(-c2ccnc(NC(C)=O)c2)sc(C)c1Cc1ccc(Cl)cc1.[C-]#[N+]c1cc(-c2cc(C(O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.

What is the InChIKey of [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide?

The InChIKey is IHXREELEMSPXFB-SBKCZVGZSA-N. The full InChI is InChI=1S/C20H13ClN4OS.C20H16ClN3OS.C19H15ClN4OS.C19H14ClN3OS.C18H13ClN4OS/c1-22-17-10-13(6-7-23-17)16-11-15(19(27-16)20-24-8-9-25-20)18(26)12-2-4-14(21)5-3-12;1-12-17(10-14-4-6-16(21)7-5-14)19(22-3)20(26-12)15-8-9-23-18(11-15)24-13(2)25;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;20-14-3-1-13(2-4-14)17(24)15-11-16(12-5-7-21-8-6-12)25-18(15)19-22-9-10-23-19;19-13-3-1-11(2-4-13)16(24)14-9-15(12-5-6-22-23-10-12)25-17(14)18-20-7-8-21-18/h2-11,18,26H,(H,24,25);4-9,11H,10H2,1-2H3,(H,23,24,25);1-10,17,25H,(H2,21,22)(H,23,24);1-11,17,24H,(H,22,23);1-10,16,24H,(H,20,21)/t;;;17-;/m...1./s1.

What are the key properties of [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide?

[5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide has a molecular weight of 1894.34 g/mol, XLogP of 25.14, 20 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(2-amino-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-isocyano-4-pyridinyl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;N-[4-[4-[(4-chlorophenyl)methyl]-3-isocyano-5-methylthiophen-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158704291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).