[4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

C46H38N8O5 — CID 143713021

IUPAC[4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCOc1cc(C(O)c2c[nH]c3ncc(-c4ccc5nc(COc6ccc(Cc7c[nH]c8ncccc78)cc6OC)[nH]c5c4)cc23)ccc1OCc1nc2ccccc2[nH]1
InChIInChI=1S/C46H38N8O5/c1-56-40-17-26(16-30-22-49-45-31(30)6-5-15-47-45)9-13-38(40)58-25-43-53-36-12-10-27(19-37(36)54-43)29-18-32-33(23-50-46(32)48-21-29)44(55)28-11-14-39(41(20-28)57-2)59-24-42-51-34-7-3-4-8-35(34)52-42/h3-15,17-23,44,55H,16,24-25H2,1-2H3,(H,47,49)(H,48,50)(H,51,52)(H,53,54)
InChIKeyRBFXXGOJXHHRLC-UHFFFAOYSA-N
MW782.86 g/mol
LogP8.71
Rot. Bonds13

About [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

[4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 143713021) has the molecular formula C46H38N8O5 and a molecular weight of 782.86 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID143713021
Molecular FormulaC46H38N8O5
Molecular Weight782.86 g/mol
Exact Mass782.30
IUPAC Name[4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCOc1cc(C(O)c2c[nH]c3ncc(-c4ccc5nc(COc6ccc(Cc7c[nH]c8ncccc78)cc6OC)[nH]c5c4)cc23)ccc1OCc1nc2ccccc2[nH]1
InChIInChI=1S/C46H38N8O5/c1-56-40-17-26(16-30-22-49-45-31(30)6-5-15-47-45)9-13-38(40)58-25-43-53-36-12-10-27(19-37(36)54-43)29-18-32-33(23-50-46(32)48-21-29)44(55)28-11-14-39(41(20-28)57-2)59-24-42-51-34-7-3-4-8-35(34)52-42/h3-15,17-23,44,55H,16,24-25H2,1-2H3,(H,47,49)(H,48,50)(H,51,52)(H,53,54)
InChIKeyRBFXXGOJXHHRLC-UHFFFAOYSA-N
XLogP8.71
TPSA171.87 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.86
LogP ≤ 58.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol with MolForge

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Related Compounds

3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-methoxymethyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine
CID 24957002
3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]methyl]-5-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 25109406
[4-(1H-benzimidazol-2-ylmethoxy)-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 58086124
3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 58087380
[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 58087587
2-[[5-fluoro-2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-1H-benzimidazole
CID 58087692
(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-fluoro-5-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol
CID 59803813
[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 59803839
[4-(1H-benzimidazol-2-ylmethoxy)-2,5-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 59803853
[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 59803860
2-[[5-fluoro-2-methoxy-4-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]methyl]-1H-benzimidazole
CID 59803867
3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]methyl]-5-isocyano-1H-pyrrolo[2,3-b]pyridine
CID 59803872

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 143713021) is [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is COc1cc(C(O)c2c[nH]c3ncc(-c4ccc5nc(COc6ccc(Cc7c[nH]c8ncccc78)cc6OC)[nH]c5c4)cc23)ccc1OCc1nc2ccccc2[nH]1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is RBFXXGOJXHHRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N8O5/c1-56-40-17-26(16-30-22-49-45-31(30)6-5-15-47-45)9-13-38(40)58-25-43-53-36-12-10-27(19-37(36)54-43)29-18-32-33(23-50-46(32)48-21-29)44(55)28-11-14-39(41(20-28)57-2)59-24-42-51-34-7-3-4-8-35(34)52-42/h3-15,17-23,44,55H,16,24-25H2,1-2H3,(H,47,49)(H,48,50)(H,51,52)(H,53,54).
What are the key properties of [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
[4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 782.86 g/mol, XLogP of 8.71, 13 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 143713021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).