4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium

C113H122Cl4F5IN16O14P2S2Ti2-2 — CID 158087310

About 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium

4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium (PubChem CID 158087310) has the molecular formula C113H122Cl4F5IN16O14P2S2Ti2-2 and a molecular weight of 2513.84 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium.

Molecular Properties

• Compound Name: 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium
• PubChem CID: 158087310
• Molecular Formula: C113H122Cl4F5IN16O14P2S2Ti2-2
• Molecular Weight: 2513.84 g/mol
• Exact Mass: 2510.49
• IUPAC Name: 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium
• SMILES: C.C.C.C.C.C.C.C.C.COc1cc(C(O)c2c[n-]c3ncc(Cl)cc23)c(F)cc1OCc1nc2ccccc2n1C.COc1cc(C=O)c(F)cc1O.COc1cc(C=O)c(F)cc1OCc1nc2ccccc2[nH]1.COc1cc(C=O)c(F)cc1OCc1nc2ccccc2n1C.COc1cc(Cc2c[nH]c3ncc(Cl)cc23)c(F)cc1OCc1nc2ccccc2n1C.ClCc1nc2ccccc2[nH]1.Clc1cnc2[n-]cc(I)c2c1.P=S.P=S.[Ti].[Ti]
• InChI: InChI=1S/C24H19ClFN4O3.C24H20ClFN4O2.C17H15FN2O3.C16H13FN2O3.C8H7ClN2.C8H7FO3.C7H3ClIN2.9CH4.2HPS.2Ti/c1-30-19-6-4-3-5-18(19)29-22(30)12-33-21-9-17(26)15(8-20(21)32-2)23(31)16-11-28-24-14(16)7-13(25)10-27-24;1-30-20-6-4-3-5-19(20)29-23(30)13-32-22-10-18(26)14(8-21(22)31-2)7-15-11-27-24-17(15)9-16(25)12-28-24;1-20-14-6-4-3-5-13(14)19-17(20)10-23-16-8-12(18)11(9-21)7-15(16)22-2;1-21-14-6-10(8-20)11(17)7-15(14)22-9-16-18-12-4-2-3-5-13(12)19-16;9-5-8-10-6-3-1-2-4-7(6)11-8;1-12-8-2-5(4-10)6(9)3-7(8)11;8-4-1-5-6(9)3-11-7(5)10-2-4;;;;;;;;;;2*1-2;;/h3-11,23,31H,12H2,1-2H3;3-6,8-12H,7,13H2,1-2H3,(H,27,28);3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,18,19);1-4H,5H2,(H,10,11);2-4,11H,1H3;1-3H;9*1H4;2*1H;;/q-1;;;;;;-1
• InChIKey: WSZLSYPVZPYHBN-UHFFFAOYSA-N
• XLogP: 29.18
• TPSA: 368.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2513.84
LogP ≤ 5	29.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium?

The IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium (CID 158087310) is 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium.

What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium?

The canonical SMILES for 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium is C.C.C.C.C.C.C.C.C.COc1cc(C(O)c2c[n-]c3ncc(Cl)cc23)c(F)cc1OCc1nc2ccccc2n1C.COc1cc(C=O)c(F)cc1O.COc1cc(C=O)c(F)cc1OCc1nc2ccccc2[nH]1.COc1cc(C=O)c(F)cc1OCc1nc2ccccc2n1C.COc1cc(Cc2c[nH]c3ncc(Cl)cc23)c(F)cc1OCc1nc2ccccc2n1C.ClCc1nc2ccccc2[nH]1.Clc1cnc2[n-]cc(I)c2c1.P=S.P=S.[Ti].[Ti].

What is the InChIKey of 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium?

The InChIKey is WSZLSYPVZPYHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN4O3.C24H20ClFN4O2.C17H15FN2O3.C16H13FN2O3.C8H7ClN2.C8H7FO3.C7H3ClIN2.9CH4.2HPS.2Ti/c1-30-19-6-4-3-5-18(19)29-22(30)12-33-21-9-17(26)15(8-20(21)32-2)23(31)16-11-28-24-14(16)7-13(25)10-27-24;1-30-20-6-4-3-5-19(20)29-23(30)13-32-22-10-18(26)14(8-21(22)31-2)7-15-11-27-24-17(15)9-16(25)12-28-24;1-20-14-6-4-3-5-13(14)19-17(20)10-23-16-8-12(18)11(9-21)7-15(16)22-2;1-21-14-6-10(8-20)11(17)7-15(14)22-9-16-18-12-4-2-3-5-13(12)19-16;9-5-8-10-6-3-1-2-4-7(6)11-8;1-12-8-2-5(4-10)6(9)3-7(8)11;8-4-1-5-6(9)3-11-7(5)10-2-4;;;;;;;;;;2*1-2;;/h3-11,23,31H,12H2,1-2H3;3-6,8-12H,7,13H2,1-2H3,(H,27,28);3-9H,10H2,1-2H3;2-8H,9H2,1H3,(H,18,19);1-4H,5H2,(H,10,11);2-4,11H,1H3;1-3H;9*1H4;2*1H;;/q-1;;;;;;-1;;;;;;;;;;;;;.

What are the key properties of 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium?

4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium has a molecular weight of 2513.84 g/mol, XLogP of 29.18, 25 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxybenzaldehyde;5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-ide;2-(chloromethyl)-1H-benzimidazole;(5-chloropyrrolo[2,3-b]pyridin-1-id-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol;2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1-methylbenzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]benzaldehyde;methane;sulfanylidenephosphane;titanium is sourced from PubChem (CID 158087310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).