2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole

C85H75N15O4 — CID 101336852

IUPAC2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole
SMILESCCn1c(-c2cccc(-c3nc4cc(Cc5ccc6c(c5)nc(-c5cccc(-c7nc8ccccc8n7Cc7cc(OC)cc(OC)c7)n5)n6CC)ccc4n3CC)n2)nc2cc(Cc3ccc4c(c3)nc(-c3cccc(-c5nc6ccccc6n5Cc5cc(OC)cc(OC)c5)n3)n4CC)ccc21
InChIInChI=1S/C85H75N15O4/c1-9-95-76-34-30-52(38-54-32-36-78-72(46-54)93-82(97(78)11-3)66-24-18-26-68(87-66)84-89-62-20-13-15-28-74(62)99(84)50-56-40-58(101-5)48-59(41-56)102-6)44-70(76)91-80(95)64-22-17-23-65(86-64)81-92-71-45-53(31-35-77(71)96(81)10-2)39-55-33-37-79-73(47-55)94-83(98(79)12-4)67-25-19-27-69(88-67)85-90-63-21-14-16-29-75(63)100(85)51-57-42-60(103-7)49-61(43-57)104-8/h13-37,40-49H,9-12,38-39,50-51H2,1-8H3
InChIKeyROGCIRNNTGRXLN-UHFFFAOYSA-N
MW1370.64 g/mol
LogP17.36
Rot. Bonds22

About 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole

2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole (PubChem CID 101336852) has the molecular formula C85H75N15O4 and a molecular weight of 1370.64 g/mol. Its IUPAC name is 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole
PubChem CID101336852
Molecular FormulaC85H75N15O4
Molecular Weight1370.64 g/mol
Exact Mass1369.61
IUPAC Name2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole
SMILESCCn1c(-c2cccc(-c3nc4cc(Cc5ccc6c(c5)nc(-c5cccc(-c7nc8ccccc8n7Cc7cc(OC)cc(OC)c7)n5)n6CC)ccc4n3CC)n2)nc2cc(Cc3ccc4c(c3)nc(-c3cccc(-c5nc6ccccc6n5Cc5cc(OC)cc(OC)c5)n3)n4CC)ccc21
InChIInChI=1S/C85H75N15O4/c1-9-95-76-34-30-52(38-54-32-36-78-72(46-54)93-82(97(78)11-3)66-24-18-26-68(87-66)84-89-62-20-13-15-28-74(62)99(84)50-56-40-58(101-5)48-59(41-56)102-6)44-70(76)91-80(95)64-22-17-23-65(86-64)81-92-71-45-53(31-35-77(71)96(81)10-2)39-55-33-37-79-73(47-55)94-83(98(79)12-4)67-25-19-27-69(88-67)85-90-63-21-14-16-29-75(63)100(85)51-57-42-60(103-7)49-61(43-57)104-8/h13-37,40-49H,9-12,38-39,50-51H2,1-8H3
InChIKeyROGCIRNNTGRXLN-UHFFFAOYSA-N
XLogP17.36
TPSA182.51 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001370.64
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole with MolForge

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Related Compounds

2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
6-[5-[[2-[4-chloro-6-(1-ethylbenzimidazol-2-yl)-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-N,N-diethylpyridine-2-carboxamide
CID 101455835
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563
cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
CID 70015423
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
CID 135574032
2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine
CID 54757246
1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;neodymium(3+);trichloride
CID 173243474
cobalt(3+);1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;trichloride
CID 70012998

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole?
The IUPAC name of 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole (CID 101336852) is 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole.
What is the SMILES notation for 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole?
The canonical SMILES for 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole is CCn1c(-c2cccc(-c3nc4cc(Cc5ccc6c(c5)nc(-c5cccc(-c7nc8ccccc8n7Cc7cc(OC)cc(OC)c7)n5)n6CC)ccc4n3CC)n2)nc2cc(Cc3ccc4c(c3)nc(-c3cccc(-c5nc6ccccc6n5Cc5cc(OC)cc(OC)c5)n3)n4CC)ccc21.
What is the InChIKey of 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole?
The InChIKey is ROGCIRNNTGRXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H75N15O4/c1-9-95-76-34-30-52(38-54-32-36-78-72(46-54)93-82(97(78)11-3)66-24-18-26-68(87-66)84-89-62-20-13-15-28-74(62)99(84)50-56-40-58(101-5)48-59(41-56)102-6)44-70(76)91-80(95)64-22-17-23-65(86-64)81-92-71-45-53(31-35-77(71)96(81)10-2)39-55-33-37-79-73(47-55)94-83(98(79)12-4)67-25-19-27-69(88-67)85-90-63-21-14-16-29-75(63)100(85)51-57-42-60(103-7)49-61(43-57)104-8/h13-37,40-49H,9-12,38-39,50-51H2,1-8H3.
What are the key properties of 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole?
2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole has a molecular weight of 1370.64 g/mol, XLogP of 17.36, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole is sourced from PubChem (CID 101336852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).