3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide

C50H63N7O14 — CID 91485044

IUPAC3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
SMILESCOCCOCCOCCOCCOc1c(O)cc(C(=O)Nc2nc3ccc(C(=O)C(C)(C)C)cc3[nH]2)cc1COCCOCCOCCOCCn1cc(C(=O)c2cc3cc(C(C)=O)ccc3[nH]2)nn1
InChIInChI=1S/C50H63N7O14/c1-33(58)34-6-8-39-36(26-34)29-42(51-39)45(60)43-31-57(56-55-43)10-11-64-14-15-66-18-19-68-22-23-70-32-38-27-37(30-44(59)46(38)71-25-24-69-21-20-67-17-16-65-13-12-63-5)48(62)54-49-52-40-9-7-35(28-41(40)53-49)47(61)50(2,3)4/h6-9,26-31,51,59H,10-25,32H2,1-5H3,(H2,52,53,54,62)
InChIKeyYYVMKYAXKCGIMT-UHFFFAOYSA-N
MW986.09 g/mol
LogP5.60
Rot. Bonds33

About 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide

3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide (PubChem CID 91485044) has the molecular formula C50H63N7O14 and a molecular weight of 986.09 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
PubChem CID91485044
Molecular FormulaC50H63N7O14
Molecular Weight986.09 g/mol
Exact Mass985.44
IUPAC Name3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
SMILESCOCCOCCOCCOCCOc1c(O)cc(C(=O)Nc2nc3ccc(C(=O)C(C)(C)C)cc3[nH]2)cc1COCCOCCOCCOCCn1cc(C(=O)c2cc3cc(C(C)=O)ccc3[nH]2)nn1
InChIInChI=1S/C50H63N7O14/c1-33(58)34-6-8-39-36(26-34)29-42(51-39)45(60)43-31-57(56-55-43)10-11-64-14-15-66-18-19-68-22-23-70-32-38-27-37(30-44(59)46(38)71-25-24-69-21-20-67-17-16-65-13-12-63-5)48(62)54-49-52-40-9-7-35(28-41(40)53-49)47(61)50(2,3)4/h6-9,26-31,51,59H,10-25,32H2,1-5H3,(H2,52,53,54,62)
InChIKeyYYVMKYAXKCGIMT-UHFFFAOYSA-N
XLogP5.60
TPSA258.79 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500986.09
LogP ≤ 55.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide with MolForge

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Related Compounds

3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-[6-(2-methylpropanoyl)-1H-benzimidazol-2-yl]benzamide
CID 144003930
4-amino-N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide;3-amino-N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide
CID 157259630
1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-amino-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-(4-aminophenyl)-5-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1H-indole-2-carboxamide;1-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
CID 157443270
4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[6-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylindol-2-yl]phenyl]benzamide;N-(4-aminophenyl)-5-(2,2-dimethylpropanoyl)-1-methylindole-2-carboxamide;1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indol-6-yl]-2,2-dimethylpropan-1-one;N-[4-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]phenyl]-1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carboxamide;1-[2-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(3-hydroxy-4-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
CID 157669172
4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylindol-2-yl]phenyl]benzamide;N-(4-aminophenyl)-6-(2,2-dimethylpropanoyl)-1H-indole-2-carboxamide;1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indol-6-yl]-2,2-dimethylpropan-1-one;N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]-1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carboxamide;1-[2-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(3-hydroxy-4-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
CID 157683040
N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-3-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;1-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carbonyl]-1H-indol-5-yl]-2,2-dimethylpropan-1-one
CID 157884037
4-amino-N-[4-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]phenyl]benzamide;1-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carboxamide;N-[4-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]phenyl]-1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide;1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
CID 158044293
4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylindol-2-yl]phenyl]benzamide;1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-indol-6-yl]-2,2-dimethylpropan-1-one;N-[4-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]phenyl]-1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carboxamide;5-(2,2-dimethylpropanoyl)-1-methyl-N-(4-methylphenyl)indole-2-carboxamide;1-[2-[3-(2-hydroxyethoxy)phenyl]-1H-indol-5-yl]-2,2-dimethylpropan-1-one;1-[2-(3-hydroxy-4-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
CID 158064411
4-amino-N-[4-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]phenyl]benzamide;1-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carboxamide;N-[4-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]phenyl]-1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide
CID 158435004
3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide
CID 158487056
1-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1-[2-(2-hydroxyethoxy)ethyl]triazole-4-carboxamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide
CID 158594126
3-amino-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]benzamide;4-amino-N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]benzamide;N-(4-aminophenyl)-6-(2,2-dimethylpropanoyl)-1H-indole-2-carboxamide;N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-4-hydroxybenzamide;N-[5-(2,2-dimethylpropanoyl)-1H-indol-2-yl]-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazole-4-carboxamide
CID 158699598

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide?
The IUPAC name of 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide (CID 91485044) is 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide.
What is the SMILES notation for 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide?
The canonical SMILES for 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide is COCCOCCOCCOCCOc1c(O)cc(C(=O)Nc2nc3ccc(C(=O)C(C)(C)C)cc3[nH]2)cc1COCCOCCOCCOCCn1cc(C(=O)c2cc3cc(C(C)=O)ccc3[nH]2)nn1.
What is the InChIKey of 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide?
The InChIKey is YYVMKYAXKCGIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H63N7O14/c1-33(58)34-6-8-39-36(26-34)29-42(51-39)45(60)43-31-57(56-55-43)10-11-64-14-15-66-18-19-68-22-23-70-32-38-27-37(30-44(59)46(38)71-25-24-69-21-20-67-17-16-65-13-12-63-5)48(62)54-49-52-40-9-7-35(28-41(40)53-49)47(61)50(2,3)4/h6-9,26-31,51,59H,10-25,32H2,1-5H3,(H2,52,53,54,62).
What are the key properties of 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide?
3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide has a molecular weight of 986.09 g/mol, XLogP of 5.60, 33 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[4-(5-acetyl-1H-indole-2-carbonyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-N-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]-5-hydroxy-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide is sourced from PubChem (CID 91485044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).