N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide

C70H66N14O4 — CID 138648942

IUPACN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NCC7CCCCN7C(=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/C70H66N14O4/c1-82(2)35-32-71-67(85)46-16-8-42(9-17-46)63-74-55-28-24-50(37-59(55)78-63)51-26-30-57-61(39-51)80-65(76-57)44-12-20-48(21-13-44)69(87)73-41-54-7-5-6-34-84(54)70(88)49-22-14-45(15-23-49)66-77-58-31-27-53(40-62(58)81-66)52-25-29-56-60(38-52)79-64(75-56)43-10-18-47(19-11-43)68(86)72-33-36-83(3)4/h8-31,37-40,54H,5-7,32-36,41H2,1-4H3,(H,71,85)(H,72,86)(H,73,87)(H,74,78)(H,75,79)(H,76,80)(H,77,81)
InChIKeyCKIHPEYAPMNKMM-UHFFFAOYSA-N
MW1167.39 g/mol
LogP11.20
Rot. Bonds18

About N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide

N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide (PubChem CID 138648942) has the molecular formula C70H66N14O4 and a molecular weight of 1167.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
PubChem CID138648942
Molecular FormulaC70H66N14O4
Molecular Weight1167.39 g/mol
Exact Mass1166.54
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NCC7CCCCN7C(=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/C70H66N14O4/c1-82(2)35-32-71-67(85)46-16-8-42(9-17-46)63-74-55-28-24-50(37-59(55)78-63)51-26-30-57-61(39-51)80-65(76-57)44-12-20-48(21-13-44)69(87)73-41-54-7-5-6-34-84(54)70(88)49-22-14-45(15-23-49)66-77-58-31-27-53(40-62(58)81-66)52-25-29-56-60(38-52)79-64(75-56)43-10-18-47(19-11-43)68(86)72-33-36-83(3)4/h8-31,37-40,54H,5-7,32-36,41H2,1-4H3,(H,71,85)(H,72,86)(H,73,87)(H,74,78)(H,75,79)(H,76,80)(H,77,81)
InChIKeyCKIHPEYAPMNKMM-UHFFFAOYSA-N
XLogP11.20
TPSA228.81 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.39
LogP ≤ 511.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide (CID 138648942) is N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide is CN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NCC7CCCCN7C(=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 N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
The InChIKey is CKIHPEYAPMNKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H66N14O4/c1-82(2)35-32-71-67(85)46-16-8-42(9-17-46)63-74-55-28-24-50(37-59(55)78-63)51-26-30-57-61(39-51)80-65(76-57)44-12-20-48(21-13-44)69(87)73-41-54-7-5-6-34-84(54)70(88)49-22-14-45(15-23-49)66-77-58-31-27-53(40-62(58)81-66)52-25-29-56-60(38-52)79-64(75-56)43-10-18-47(19-11-43)68(86)72-33-36-83(3)4/h8-31,37-40,54H,5-7,32-36,41H2,1-4H3,(H,71,85)(H,72,86)(H,73,87)(H,74,78)(H,75,79)(H,76,80)(H,77,81).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide has a molecular weight of 1167.39 g/mol, XLogP of 11.20, 18 rotatable bonds, 7 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-[[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-2-yl]methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 138648942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).