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

C74H72N14O4 — CID 138650081

IUPACN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)N7CCC(C8CCN(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/C74H72N14O4/c1-85(2)39-33-75-71(89)51-13-5-47(6-14-51)67-77-59-25-21-55(41-63(59)81-67)57-23-27-61-65(43-57)83-69(79-61)49-9-17-53(18-10-49)73(91)87-35-29-45(30-36-87)46-31-37-88(38-32-46)74(92)54-19-11-50(12-20-54)70-80-62-28-24-58(44-66(62)84-70)56-22-26-60-64(42-56)82-68(78-60)48-7-15-52(16-8-48)72(90)76-34-40-86(3)4/h5-28,41-46H,29-40H2,1-4H3,(H,75,89)(H,76,90)(H,77,81)(H,78,82)(H,79,83)(H,80,84)
InChIKeyACPYWMPTRLRPMS-UHFFFAOYSA-N
MW1221.48 g/mol
LogP12.18
Rot. Bonds17

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

N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide (PubChem CID 138650081) has the molecular formula C74H72N14O4 and a molecular weight of 1221.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]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-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
PubChem CID138650081
Molecular FormulaC74H72N14O4
Molecular Weight1221.48 g/mol
Exact Mass1220.59
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)N7CCC(C8CCN(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/C74H72N14O4/c1-85(2)39-33-75-71(89)51-13-5-47(6-14-51)67-77-59-25-21-55(41-63(59)81-67)57-23-27-61-65(43-57)83-69(79-61)49-9-17-53(18-10-49)73(91)87-35-29-45(30-36-87)46-31-37-88(38-32-46)74(92)54-19-11-50(12-20-54)70-80-62-28-24-58(44-66(62)84-70)56-22-26-60-64(42-56)82-68(78-60)48-7-15-52(16-8-48)72(90)76-34-40-86(3)4/h5-28,41-46H,29-40H2,1-4H3,(H,75,89)(H,76,90)(H,77,81)(H,78,82)(H,79,83)(H,80,84)
InChIKeyACPYWMPTRLRPMS-UHFFFAOYSA-N
XLogP12.18
TPSA220.02 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001221.48
LogP ≤ 512.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]piperidine-1-carbonyl]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-[4-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]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-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide (CID 138650081) is N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]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-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]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-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]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(C8CCN(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-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
The InChIKey is ACPYWMPTRLRPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H72N14O4/c1-85(2)39-33-75-71(89)51-13-5-47(6-14-51)67-77-59-25-21-55(41-63(59)81-67)57-23-27-61-65(43-57)83-69(79-61)49-9-17-53(18-10-49)73(91)87-35-29-45(30-36-87)46-31-37-88(38-32-46)74(92)54-19-11-50(12-20-54)70-80-62-28-24-58(44-66(62)84-70)56-22-26-60-64(42-56)82-68(78-60)48-7-15-52(16-8-48)72(90)76-34-40-86(3)4/h5-28,41-46H,29-40H2,1-4H3,(H,75,89)(H,76,90)(H,77,81)(H,78,82)(H,79,83)(H,80,84).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[4-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide has a molecular weight of 1221.48 g/mol, XLogP of 12.18, 17 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-[1-[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 138650081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).