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

C77H78N14O4 — CID 138649311

IUPACN-[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
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NC7CCC(CC8CCC(NC(=O)c9ccc(-c%10nc%11ccc(-c%12ccc%13nc(-c%14ccc(C(=O)NCCN(C)C)cc%14)[nH]c%13c%12)cc%11[nH]%10)cc9)CC8)CC7)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C77H78N14O4/c1-90(2)39-37-78-74(92)52-17-9-48(10-18-52)70-82-62-33-25-56(42-66(62)86-70)58-27-35-64-68(44-58)88-72(84-64)50-13-21-54(22-14-50)76(94)80-60-29-5-46(6-30-60)41-47-7-31-61(32-8-47)81-77(95)55-23-15-51(16-24-55)73-85-65-36-28-59(45-69(65)89-73)57-26-34-63-67(43-57)87-71(83-63)49-11-19-53(20-12-49)75(93)79-38-40-91(3)4/h9-28,33-36,42-47,60-61H,5-8,29-32,37-41H2,1-4H3,(H,78,92)(H,79,93)(H,80,94)(H,81,95)(H,82,86)(H,83,87)(H,84,88)(H,85,89)
InChIKeyDNRSGTHBWOOFCV-UHFFFAOYSA-N
MW1263.56 g/mol
LogP13.44
Rot. Bonds20

About 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

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 (PubChem CID 138649311) has the molecular formula C77H78N14O4 and a molecular weight of 1263.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID138649311
Molecular FormulaC77H78N14O4
Molecular Weight1263.56 g/mol
Exact Mass1262.63
IUPAC NameN-[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
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NC7CCC(CC8CCC(NC(=O)c9ccc(-c%10nc%11ccc(-c%12ccc%13nc(-c%14ccc(C(=O)NCCN(C)C)cc%14)[nH]c%13c%12)cc%11[nH]%10)cc9)CC8)CC7)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C77H78N14O4/c1-90(2)39-37-78-74(92)52-17-9-48(10-18-52)70-82-62-33-25-56(42-66(62)86-70)58-27-35-64-68(44-58)88-72(84-64)50-13-21-54(22-14-50)76(94)80-60-29-5-46(6-30-60)41-47-7-31-61(32-8-47)81-77(95)55-23-15-51(16-24-55)73-85-65-36-28-59(45-69(65)89-73)57-26-34-63-67(43-57)87-71(83-63)49-11-19-53(20-12-49)75(93)79-38-40-91(3)4/h9-28,33-36,42-47,60-61H,5-8,29-32,37-41H2,1-4H3,(H,78,92)(H,79,93)(H,80,94)(H,81,95)(H,82,86)(H,83,87)(H,84,88)(H,85,89)
InChIKeyDNRSGTHBWOOFCV-UHFFFAOYSA-N
XLogP13.44
TPSA237.60 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.56
LogP ≤ 513.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
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
1-[2-(dimethylamino)ethyl]-3-[2-[4-[6-[2-(dimethylamino)ethylcarbamoylamino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]urea
CID 138648973
4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
CID 20740000
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
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 20739970
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NC7CCC(CC8CCC(NC(=O)c9ccc(-c%10nc%11ccc(-c%12ccc%13nc(-c%14ccc(C(=O)NCCN(C)C)cc%14)[nH]c%13c%12)cc%11[nH]%10)cc9)CC8)CC7)cc6)[nH]c5c4)cc3[nH]2)cc1.
What is the InChIKey of 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?
The InChIKey is DNRSGTHBWOOFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H78N14O4/c1-90(2)39-37-78-74(92)52-17-9-48(10-18-52)70-82-62-33-25-56(42-66(62)86-70)58-27-35-64-68(44-58)88-72(84-64)50-13-21-54(22-14-50)76(94)80-60-29-5-46(6-30-60)41-47-7-31-61(32-8-47)81-77(95)55-23-15-51(16-24-55)73-85-65-36-28-59(45-69(65)89-73)57-26-34-63-67(43-57)87-71(83-63)49-11-19-53(20-12-49)75(93)79-38-40-91(3)4/h9-28,33-36,42-47,60-61H,5-8,29-32,37-41H2,1-4H3,(H,78,92)(H,79,93)(H,80,94)(H,81,95)(H,82,86)(H,83,87)(H,84,88)(H,85,89).
What are the key properties of 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?
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 has a molecular weight of 1263.56 g/mol, XLogP of 13.44, 20 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138649311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).