4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane

C102H109Cl9N14O14 — CID 158387709

About 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane

4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane (PubChem CID 158387709) has the molecular formula C102H109Cl9N14O14 and a molecular weight of 2074.15 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane.

Molecular Properties

• Compound Name: 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane
• PubChem CID: 158387709
• Molecular Formula: C102H109Cl9N14O14
• Molecular Weight: 2074.15 g/mol
• Exact Mass: 2068.54
• IUPAC Name: 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane
• SMILES: C.C.C.C.C.C.C.C.COc1cc(C(O)c2c[nH]c3ncc(Cl)cc23)c(Cl)cc1OCc1nc2ccccc2[nH]1.COc1cc(C=O)c(Cl)cc1O.COc1cc(C=O)c(Cl)cc1OCc1nc2ccccc2[nH]1.COc1cc(Cc2c[nH]c3ncc(Cl)cc23)c(Cl)cc1OCc1nc2ccccc2[nH]1.COc1cc(Cl)c(C=O)cc1OC.ClCc1nc2ccccc2[nH]1.Clc1cnc2[nH]ccc2c1
• InChI: InChI=1S/C23H18Cl2N4O3.C23H18Cl2N4O2.C16H13ClN2O3.C9H9ClO3.C8H7ClN2.C8H7ClO3.C7H5ClN2.8CH4/c1-31-19-7-14(22(30)15-10-27-23-13(15)6-12(24)9-26-23)16(25)8-20(19)32-11-21-28-17-4-2-3-5-18(17)29-21;1-30-20-7-13(6-14-10-26-23-16(14)8-15(24)11-27-23)17(25)9-21(20)31-12-22-28-18-4-2-3-5-19(18)29-22;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;1-12-8-3-6(5-11)7(10)4-9(8)13-2;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;8-6-3-5-1-2-9-7(5)10-4-6;;;;;;;;/h2-10,22,30H,11H2,1H3,(H,26,27)(H,28,29);2-5,7-11H,6,12H2,1H3,(H,26,27)(H,28,29);2-8H,9H2,1H3,(H,18,19);3-5H,1-2H3;1-4H,5H2,(H,10,11);2-4,11H,1H3;1-4H,(H,9,10);8*1H4
• InChIKey: GWOHWGPOTFVPNT-UHFFFAOYSA-N
• XLogP: 28.60
• TPSA: 375.50 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2074.15
LogP ≤ 5	28.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

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 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane?

The IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane (CID 158387709) is 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane.

What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane?

The canonical SMILES for 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane is C.C.C.C.C.C.C.C.COc1cc(C(O)c2c[nH]c3ncc(Cl)cc23)c(Cl)cc1OCc1nc2ccccc2[nH]1.COc1cc(C=O)c(Cl)cc1O.COc1cc(C=O)c(Cl)cc1OCc1nc2ccccc2[nH]1.COc1cc(Cc2c[nH]c3ncc(Cl)cc23)c(Cl)cc1OCc1nc2ccccc2[nH]1.COc1cc(Cl)c(C=O)cc1OC.ClCc1nc2ccccc2[nH]1.Clc1cnc2[nH]ccc2c1.

What is the InChIKey of 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane?

The InChIKey is GWOHWGPOTFVPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O3.C23H18Cl2N4O2.C16H13ClN2O3.C9H9ClO3.C8H7ClN2.C8H7ClO3.C7H5ClN2.8CH4/c1-31-19-7-14(22(30)15-10-27-23-13(15)6-12(24)9-26-23)16(25)8-20(19)32-11-21-28-17-4-2-3-5-18(17)29-21;1-30-20-7-13(6-14-10-26-23-16(14)8-15(24)11-27-23)17(25)9-21(20)31-12-22-28-18-4-2-3-5-19(18)29-22;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;1-12-8-3-6(5-11)7(10)4-9(8)13-2;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;8-6-3-5-1-2-9-7(5)10-4-6;;;;;;;;/h2-10,22,30H,11H2,1H3,(H,26,27)(H,28,29);2-5,7-11H,6,12H2,1H3,(H,26,27)(H,28,29);2-8H,9H2,1H3,(H,18,19);3-5H,1-2H3;1-4H,5H2,(H,10,11);2-4,11H,1H3;1-4H,(H,9,10);8*1H4.

What are the key properties of 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane?

4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane has a molecular weight of 2074.15 g/mol, XLogP of 28.60, 23 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxybenzaldehyde;[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-chloro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine;2-chloro-4,5-dimethoxybenzaldehyde;2-chloro-4-hydroxy-5-methoxybenzaldehyde;2-(chloromethyl)-1H-benzimidazole;5-chloro-1H-pyrrolo[2,3-b]pyridine;methane is sourced from PubChem (CID 158387709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).