(4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one

C105H83Cl5FN19O5S5 — CID 159486312

About (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one

(4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one (PubChem CID 159486312) has the molecular formula C105H83Cl5FN19O5S5 and a molecular weight of 2047.54 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one
• PubChem CID: 159486312
• Molecular Formula: C105H83Cl5FN19O5S5
• Molecular Weight: 2047.54 g/mol
• Exact Mass: 2043.39
• IUPAC Name: (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one
• SMILES: CN(C)[C@@H](c1ccc(Cl)cc1)c1cc(-c2ccncc2)sc1-c1ncc[nH]1.Cc1cc(-c2cc([C@@H](O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.O=C1CCc2c(-c3cc(C(O)c4ccc(Cl)cc4)c(-c4ncc[nH]4)s3)ccnc2N1.OC(c1ccc(Cl)cc1)c1cc(-c2ncncc2F)sc1-c1ncc[nH]1.[C-]#[N+]c1c(-c2ccnc(CC(=O)CC)c2)sc(-c2ncc[nH]2)c1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C24H19ClN4OS.C22H17ClN4O2S.C21H19ClN4S.C20H16ClN3OS.C18H12ClFN4OS/c1-3-19(30)14-18-13-16(8-9-27-18)22-21(26-2)20(12-15-4-6-17(25)7-5-15)23(31-22)24-28-10-11-29-24;23-13-3-1-12(2-4-13)19(29)16-11-17(30-20(16)22-25-9-10-26-22)14-7-8-24-21-15(14)5-6-18(28)27-21;1-26(2)19(15-3-5-16(22)6-4-15)17-13-18(14-7-9-23-10-8-14)27-20(17)21-24-11-12-25-21;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;19-11-3-1-10(2-4-11)16(25)12-7-14(15-13(20)8-21-9-24-15)26-17(12)18-22-5-6-23-18/h4-11,13H,3,12,14H2,1H3,(H,28,29);1-4,7-11,19,29H,5-6H2,(H,25,26)(H,24,27,28);3-13,19H,1-2H3,(H,24,25);2-11,18,25H,1H3,(H,23,24);1-9,16,25H,(H,22,23)/t;;19-;18-;/m..00./s1
• InChIKey: LXPZBPMETURUJO-STYIKARHSA-N
• XLogP: 26.55
• TPSA: 335.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2047.54
LogP ≤ 5	26.55
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one?

The IUPAC name of (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one (CID 159486312) is (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one.

What is the SMILES notation for (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one?

The canonical SMILES for (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one is CN(C)[C@@H](c1ccc(Cl)cc1)c1cc(-c2ccncc2)sc1-c1ncc[nH]1.Cc1cc(-c2cc([C@@H](O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)ccn1.O=C1CCc2c(-c3cc(C(O)c4ccc(Cl)cc4)c(-c4ncc[nH]4)s3)ccnc2N1.OC(c1ccc(Cl)cc1)c1cc(-c2ncncc2F)sc1-c1ncc[nH]1.[C-]#[N+]c1c(-c2ccnc(CC(=O)CC)c2)sc(-c2ncc[nH]2)c1Cc1ccc(Cl)cc1.

What is the InChIKey of (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one?

The InChIKey is LXPZBPMETURUJO-STYIKARHSA-N. The full InChI is InChI=1S/C24H19ClN4OS.C22H17ClN4O2S.C21H19ClN4S.C20H16ClN3OS.C18H12ClFN4OS/c1-3-19(30)14-18-13-16(8-9-27-18)22-21(26-2)20(12-15-4-6-17(25)7-5-15)23(31-22)24-28-10-11-29-24;23-13-3-1-12(2-4-13)19(29)16-11-17(30-20(16)22-25-9-10-26-22)14-7-8-24-21-15(14)5-6-18(28)27-21;1-26(2)19(15-3-5-16(22)6-4-15)17-13-18(14-7-9-23-10-8-14)27-20(17)21-24-11-12-25-21;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;19-11-3-1-10(2-4-11)16(25)12-7-14(15-13(20)8-21-9-24-15)26-17(12)18-22-5-6-23-18/h4-11,13H,3,12,14H2,1H3,(H,28,29);1-4,7-11,19,29H,5-6H2,(H,25,26)(H,24,27,28);3-13,19H,1-2H3,(H,24,25);2-11,18,25H,1H3,(H,23,24);1-9,16,25H,(H,22,23)/t;;19-;18-;/m..00./s1.

What are the key properties of (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one?

(4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one has a molecular weight of 2047.54 g/mol, XLogP of 26.55, 24 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;5-[4-[(4-chlorophenyl)-hydroxymethyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol;(1S)-1-(4-chlorophenyl)-1-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]-N,N-dimethylmethanamine;1-[4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-pyridinyl]butan-2-one is sourced from PubChem (CID 159486312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).