4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide

C74H76N14O7 — CID 138649300

IUPAC4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NCCCOCCOCCOCCCNC(=O)c7ccc(-c8nc9ccc(-c%10ccc%11nc(-c%12ccc(C(=O)NCCN(C)C)cc%12)[nH]c%11c%10)cc9[nH]8)cc7)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C74H76N14O7/c1-87(2)35-33-77-73(91)53-19-11-49(12-20-53)69-81-61-29-25-57(45-65(61)85-69)55-23-27-59-63(43-55)83-67(79-59)47-7-15-51(16-8-47)71(89)75-31-5-37-93-39-41-95-42-40-94-38-6-32-76-72(90)52-17-9-48(10-18-52)68-80-60-28-24-56(44-64(60)84-68)58-26-30-62-66(46-58)86-70(82-62)50-13-21-54(22-14-50)74(92)78-34-36-88(3)4/h7-30,43-46H,5-6,31-42H2,1-4H3,(H,75,89)(H,76,90)(H,77,91)(H,78,92)(H,79,83)(H,80,84)(H,81,85)(H,82,86)
InChIKeyRDDRKDOXRWFJPF-UHFFFAOYSA-N
MW1273.51 g/mol
LogP10.77
Rot. Bonds30

About 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide

4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide (PubChem CID 138649300) has the molecular formula C74H76N14O7 and a molecular weight of 1273.51 g/mol. Its IUPAC name is 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide.

Molecular Properties

Compound Name4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide
PubChem CID138649300
Molecular FormulaC74H76N14O7
Molecular Weight1273.51 g/mol
Exact Mass1272.60
IUPAC Name4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NCCCOCCOCCOCCCNC(=O)c7ccc(-c8nc9ccc(-c%10ccc%11nc(-c%12ccc(C(=O)NCCN(C)C)cc%12)[nH]c%11c%10)cc9[nH]8)cc7)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C74H76N14O7/c1-87(2)35-33-77-73(91)53-19-11-49(12-20-53)69-81-61-29-25-57(45-65(61)85-69)55-23-27-59-63(43-55)83-67(79-59)47-7-15-51(16-8-47)71(89)75-31-5-37-93-39-41-95-42-40-94-38-6-32-76-72(90)52-17-9-48(10-18-52)68-80-60-28-24-56(44-64(60)84-68)58-26-30-62-66(46-58)86-70(82-62)50-13-21-54(22-14-50)74(92)78-34-36-88(3)4/h7-30,43-46H,5-6,31-42H2,1-4H3,(H,75,89)(H,76,90)(H,77,91)(H,78,92)(H,79,83)(H,80,84)(H,81,85)(H,82,86)
InChIKeyRDDRKDOXRWFJPF-UHFFFAOYSA-N
XLogP10.77
TPSA265.29 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001273.51
LogP ≤ 510.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[6-[2-(4-pentoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138649511
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide
CID 138649534
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[6-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]hexyl]benzamide
CID 138650082
N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[4-[[4-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]cyclohexyl]methyl]cyclohexyl]carbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138649311
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
N-(3-aminopropyl)-2-[4-[6-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 156663986
methyl 4-[2-[2-[[2-[4-[6-[2-(dimethylamino)ethylcarbamoyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carbonyl]amino]ethyl-methylamino]ethylamino]-4-oxobutanoate
CID 138649532
N-[4-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]butyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide
CID 160620910
1-[2-(dimethylamino)ethyl]-3-[2-[4-[6-[2-(dimethylamino)ethylcarbamoylamino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]urea
CID 138648973
N-[3-[4-[2-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138648899
4-(1H-benzimidazol-2-yl)-N-butylbenzamide
CID 100577263
N-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethyl]-2-[4-[6-[2-[methyl-[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]ethylcarbamoyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 138649257

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide?
The IUPAC name of 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide (CID 138649300) is 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide.
What is the SMILES notation for 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide?
The canonical SMILES for 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide is CN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NCCCOCCOCCOCCCNC(=O)c7ccc(-c8nc9ccc(-c%10ccc%11nc(-c%12ccc(C(=O)NCCN(C)C)cc%12)[nH]c%11c%10)cc9[nH]8)cc7)cc6)[nH]c5c4)cc3[nH]2)cc1.
What is the InChIKey of 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide?
The InChIKey is RDDRKDOXRWFJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H76N14O7/c1-87(2)35-33-77-73(91)53-19-11-49(12-20-53)69-81-61-29-25-57(45-65(61)85-69)55-23-27-59-63(43-55)83-67(79-59)47-7-15-51(16-8-47)71(89)75-31-5-37-93-39-41-95-42-40-94-38-6-32-76-72(90)52-17-9-48(10-18-52)68-80-60-28-24-56(44-64(60)84-68)58-26-30-62-66(46-58)86-70(82-62)50-13-21-54(22-14-50)74(92)78-34-36-88(3)4/h7-30,43-46H,5-6,31-42H2,1-4H3,(H,75,89)(H,76,90)(H,77,91)(H,78,92)(H,79,83)(H,80,84)(H,81,85)(H,82,86).
What are the key properties of 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide?
4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide has a molecular weight of 1273.51 g/mol, XLogP of 10.77, 30 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide is sourced from PubChem (CID 138649300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).