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

C77H78N14O4 — CID 138650067

IUPACN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)N7CCC(CCCC8CCN(C(=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/c1-88(2)42-36-78-74(92)54-16-8-50(9-17-54)70-80-62-28-24-58(44-66(62)84-70)60-26-30-64-68(46-60)86-72(82-64)52-12-20-56(21-13-52)76(94)90-38-32-48(33-39-90)6-5-7-49-34-40-91(41-35-49)77(95)57-22-14-53(15-23-57)73-83-65-31-27-61(47-69(65)87-73)59-25-29-63-67(45-59)85-71(81-63)51-10-18-55(19-11-51)75(93)79-37-43-89(3)4/h8-31,44-49H,5-7,32-43H2,1-4H3,(H,78,92)(H,79,93)(H,80,84)(H,81,85)(H,82,86)(H,83,87)
InChIKeyQFICGYVBILITFQ-UHFFFAOYSA-N
MW1263.56 g/mol
LogP13.35
Rot. Bonds20

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

N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide (PubChem CID 138650067) 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-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
PubChem CID138650067
Molecular FormulaC77H78N14O4
Molecular Weight1263.56 g/mol
Exact Mass1262.63
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)N7CCC(CCCC8CCN(C(=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/c1-88(2)42-36-78-74(92)54-16-8-50(9-17-54)70-80-62-28-24-58(44-66(62)84-70)60-26-30-64-68(46-60)86-72(82-64)52-12-20-56(21-13-52)76(94)90-38-32-48(33-39-90)6-5-7-49-34-40-91(41-35-49)77(95)57-22-14-53(15-23-57)73-83-65-31-27-61(47-69(65)87-73)59-25-29-63-67(45-59)85-71(81-63)51-10-18-55(19-11-51)75(93)79-37-43-89(3)4/h8-31,44-49H,5-7,32-43H2,1-4H3,(H,78,92)(H,79,93)(H,80,84)(H,81,85)(H,82,86)(H,83,87)
InChIKeyQFICGYVBILITFQ-UHFFFAOYSA-N
XLogP13.35
TPSA220.02 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.56
LogP ≤ 513.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide (CID 138650067) is N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]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-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide is CN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)N7CCC(CCCC8CCN(C(=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-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
The InChIKey is QFICGYVBILITFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H78N14O4/c1-88(2)42-36-78-74(92)54-16-8-50(9-17-54)70-80-62-28-24-58(44-66(62)84-70)60-26-30-64-68(46-60)86-72(82-64)52-12-20-56(21-13-52)76(94)90-38-32-48(33-39-90)6-5-7-49-34-40-91(41-35-49)77(95)57-22-14-53(15-23-57)73-83-65-31-27-61(47-69(65)87-73)59-25-29-63-67(45-59)85-71(81-63)51-10-18-55(19-11-51)75(93)79-37-43-89(3)4/h8-31,44-49H,5-7,32-43H2,1-4H3,(H,78,92)(H,79,93)(H,80,84)(H,81,85)(H,82,86)(H,83,87).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide has a molecular weight of 1263.56 g/mol, XLogP of 13.35, 20 rotatable bonds, 6 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-[3-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]propyl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 138650067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).