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

C73H75N15O4 — CID 138648960

IUPACN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)N(C)CCCN(C)CCCN(C)C(=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/C73H75N15O4/c1-84(2)40-34-74-70(89)50-18-10-46(11-19-50)66-76-58-30-26-54(42-62(58)80-66)56-28-32-60-64(44-56)82-68(78-60)48-14-22-52(23-15-48)72(91)87(6)38-8-36-86(5)37-9-39-88(7)73(92)53-24-16-49(17-25-53)69-79-61-33-29-57(45-65(61)83-69)55-27-31-59-63(43-55)81-67(77-59)47-12-20-51(21-13-47)71(90)75-35-41-85(3)4/h10-33,42-45H,8-9,34-41H2,1-7H3,(H,74,89)(H,75,90)(H,76,80)(H,77,81)(H,78,82)(H,79,83)
InChIKeyGFXZLAMBHGNCQW-UHFFFAOYSA-N
MW1226.50 g/mol
LogP11.33
Rot. Bonds24

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

N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide (PubChem CID 138648960) has the molecular formula C73H75N15O4 and a molecular weight of 1226.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
PubChem CID138648960
Molecular FormulaC73H75N15O4
Molecular Weight1226.50 g/mol
Exact Mass1225.61
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)N(C)CCCN(C)CCCN(C)C(=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/C73H75N15O4/c1-84(2)40-34-74-70(89)50-18-10-46(11-19-50)66-76-58-30-26-54(42-62(58)80-66)56-28-32-60-64(44-56)82-68(78-60)48-14-22-52(23-15-48)72(91)87(6)38-8-36-86(5)37-9-39-88(7)73(92)53-24-16-49(17-25-53)69-79-61-33-29-57(45-65(61)83-69)55-27-31-59-63(43-55)81-67(77-59)47-12-20-51(21-13-47)71(90)75-35-41-85(3)4/h10-33,42-45H,8-9,34-41H2,1-7H3,(H,74,89)(H,75,90)(H,76,80)(H,77,81)(H,78,82)(H,79,83)
InChIKeyGFXZLAMBHGNCQW-UHFFFAOYSA-N
XLogP11.33
TPSA223.26 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001226.50
LogP ≤ 511.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-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-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide (CID 138648960) is N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-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-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide is CN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)N(C)CCCN(C)CCCN(C)C(=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-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
The InChIKey is GFXZLAMBHGNCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H75N15O4/c1-84(2)40-34-74-70(89)50-18-10-46(11-19-50)66-76-58-30-26-54(42-62(58)80-66)56-28-32-60-64(44-56)82-68(78-60)48-14-22-52(23-15-48)72(91)87(6)38-8-36-86(5)37-9-39-88(7)73(92)53-24-16-49(17-25-53)69-79-61-33-29-57(45-65(61)83-69)55-27-31-59-63(43-55)81-67(77-59)47-12-20-51(21-13-47)71(90)75-35-41-85(3)4/h10-33,42-45H,8-9,34-41H2,1-7H3,(H,74,89)(H,75,90)(H,76,80)(H,77,81)(H,78,82)(H,79,83).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide has a molecular weight of 1226.50 g/mol, XLogP of 11.33, 24 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[3-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]-methylamino]propyl-methylamino]propyl-methylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 138648960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).