5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane

C88H70Cl12F4N14O11 — CID 158910330

About 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane

5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane (PubChem CID 158910330) has the molecular formula C88H70Cl12F4N14O11 and a molecular weight of 2001.04 g/mol. Its IUPAC name is 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane.

Molecular Properties

• Compound Name: 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane
• PubChem CID: 158910330
• Molecular Formula: C88H70Cl12F4N14O11
• Molecular Weight: 2001.04 g/mol
• Exact Mass: 1994.15
• IUPAC Name: 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane
• SMILES: C.C.COc1cc(C(OC)c2c[nH]c3ncc(Cl)cc23)c(F)cc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1.COc1cc(C=O)c(F)cc1O.COc1cc(C=O)c(F)cc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1.COc1cc(Cc2c[nH]c3ncc(Cl)cc23)c(F)cc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1.ClCc1nc2cc(Cl)c(Cl)cc2[nH]1.Clc1cnc2[nH]ccc2c1
• InChI: InChI=1S/C24H18Cl3FN4O3.C23H16Cl3FN4O2.C16H11Cl2FN2O3.C8H5Cl3N2.C8H7FO3.C7H5ClN2.2CH4/c1-33-20-4-13(23(34-2)14-9-30-24-12(14)3-11(25)8-29-24)17(28)7-21(20)35-10-22-31-18-5-15(26)16(27)6-19(18)32-22;1-32-20-3-11(2-12-8-28-23-14(12)4-13(24)9-29-23)17(27)7-21(20)33-10-22-30-18-5-15(25)16(26)6-19(18)31-22;1-23-14-2-8(6-22)11(19)5-15(14)24-7-16-20-12-3-9(17)10(18)4-13(12)21-16;9-3-8-12-6-1-4(10)5(11)2-7(6)13-8;1-12-8-2-5(4-10)6(9)3-7(8)11;8-6-3-5-1-2-9-7(5)10-4-6;;/h3-9,23H,10H2,1-2H3,(H,29,30)(H,31,32);3-9H,2,10H2,1H3,(H,28,29)(H,30,31);2-6H,7H2,1H3,(H,20,21);1-2H,3H2,(H,12,13);2-4,11H,1H3;1-4H,(H,9,10);2*1H4
• InChIKey: JGOIVYAFSSENJT-UHFFFAOYSA-N
• XLogP: 26.44
• TPSA: 328.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2001.04
LogP ≤ 5	26.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane?

The IUPAC name of 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane (CID 158910330) is 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane.

What is the SMILES notation for 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane?

The canonical SMILES for 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane is C.C.COc1cc(C(OC)c2c[nH]c3ncc(Cl)cc23)c(F)cc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1.COc1cc(C=O)c(F)cc1O.COc1cc(C=O)c(F)cc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1.COc1cc(Cc2c[nH]c3ncc(Cl)cc23)c(F)cc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1.ClCc1nc2cc(Cl)c(Cl)cc2[nH]1.Clc1cnc2[nH]ccc2c1.

What is the InChIKey of 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane?

The InChIKey is JGOIVYAFSSENJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3FN4O3.C23H16Cl3FN4O2.C16H11Cl2FN2O3.C8H5Cl3N2.C8H7FO3.C7H5ClN2.2CH4/c1-33-20-4-13(23(34-2)14-9-30-24-12(14)3-11(25)8-29-24)17(28)7-21(20)35-10-22-31-18-5-15(26)16(27)6-19(18)32-22;1-32-20-3-11(2-12-8-28-23-14(12)4-13(24)9-29-23)17(27)7-21(20)33-10-22-30-18-5-15(25)16(26)6-19(18)31-22;1-23-14-2-8(6-22)11(19)5-15(14)24-7-16-20-12-3-9(17)10(18)4-13(12)21-16;9-3-8-12-6-1-4(10)5(11)2-7(6)13-8;1-12-8-2-5(4-10)6(9)3-7(8)11;8-6-3-5-1-2-9-7(5)10-4-6;;/h3-9,23H,10H2,1-2H3,(H,29,30)(H,31,32);3-9H,2,10H2,1H3,(H,28,29)(H,30,31);2-6H,7H2,1H3,(H,20,21);1-2H,3H2,(H,12,13);2-4,11H,1H3;1-4H,(H,9,10);2*1H4.

What are the key properties of 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane?

5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane has a molecular weight of 2001.04 g/mol, XLogP of 26.44, 21 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1H-pyrrolo[2,3-b]pyridine;4-[(5,6-dichloro-1H-benzimidazol-2-yl)methoxy]-2-fluoro-5-methoxybenzaldehyde;5,6-dichloro-2-(chloromethyl)-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;5,6-dichloro-2-[[4-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-5-fluoro-2-methoxyphenoxy]methyl]-1H-benzimidazole;2-fluoro-4-hydroxy-5-methoxybenzaldehyde;methane is sourced from PubChem (CID 158910330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).