2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole

C51H38N12O3 — CID 123246066

IUPAC2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(-c3ccc4nc(-c5cccc(CCc6nnc(-c7ccc8c(c7)ncn8Cc7ccccc7CCc7nnc(-c8ccc9nc[nH]c9c8)o7)o6)c5)[nH]c4c3)o2)cc1
InChIInChI=1S/C51H38N12O3/c1-2-7-31(8-3-1)24-47-59-62-51(66-47)36-15-19-40-42(26-36)56-48(55-40)34-12-6-9-32(23-34)13-21-45-57-61-50(64-45)37-16-20-44-43(27-37)54-30-63(44)28-38-11-5-4-10-33(38)17-22-46-58-60-49(65-46)35-14-18-39-41(25-35)53-29-52-39/h1-12,14-16,18-20,23,25-27,29-30H,13,17,21-22,24,28H2,(H,52,53)(H,55,56)
InChIKeyNVVMWBPCSNRPOK-UHFFFAOYSA-N
MW866.95 g/mol
LogP9.82
Rot. Bonds14

About 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole

2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole (PubChem CID 123246066) has the molecular formula C51H38N12O3 and a molecular weight of 866.95 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole
PubChem CID123246066
Molecular FormulaC51H38N12O3
Molecular Weight866.95 g/mol
Exact Mass866.32
IUPAC Name2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(-c3ccc4nc(-c5cccc(CCc6nnc(-c7ccc8c(c7)ncn8Cc7ccccc7CCc7nnc(-c8ccc9nc[nH]c9c8)o7)o6)c5)[nH]c4c3)o2)cc1
InChIInChI=1S/C51H38N12O3/c1-2-7-31(8-3-1)24-47-59-62-51(66-47)36-15-19-40-42(26-36)56-48(55-40)34-12-6-9-32(23-34)13-21-45-57-61-50(64-45)37-16-20-44-43(27-37)54-30-63(44)28-38-11-5-4-10-33(38)17-22-46-58-60-49(65-46)35-14-18-39-41(25-35)53-29-52-39/h1-12,14-16,18-20,23,25-27,29-30H,13,17,21-22,24,28H2,(H,52,53)(H,55,56)
InChIKeyNVVMWBPCSNRPOK-UHFFFAOYSA-N
XLogP9.82
TPSA191.94 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500866.95
LogP ≤ 59.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

5-(5-Phenethyl-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433214
4'-[6-(1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one
CID 44579864
2-(3H-benzimidazol-5-yl)-5-(4-butylphenyl)-1,3,4-oxadiazole
CID 156014411
2-(3H-benzimidazol-5-yl)-5-[2-[2,5-bis(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
CID 58433290
2-(3H-benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 156010597
2-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 156016976
2-bromo-6-(trifluoromethyl)-1H-benzimidazole;N-hydroxy-1,1-dimethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3H-isoindole-4-carboxamide;methyl 1,1-dimethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-3H-isoindole-4-carboxylate
CID 159192820
2-tert-butyl-1-[10-(2-tert-butylbenzimidazol-1-yl)tetraphenylen-2-yl]benzimidazole;3-[1,3,4,9,10,11,12-heptakis(4H-1,2,4-triazol-3-yl)tetraphenylen-2-yl]-4H-1,2,4-triazole;3-phenyl-2-[10-(3-phenylimidazo[4,5-b]pyridin-2-yl)-6,7,14,15-tetrakis(trifluoromethyl)tetraphenylen-2-yl]imidazo[4,5-b]pyridine;2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole;1,2,3,4-tetrakis(4-methylphenyl)tetraphenylene
CID 160419212
{2-[4-(5-[4-Aminophenyl]-1,3,4-oxadiazol-2-yl)-phenyl]-1H-benzo[d]imidazol-5-yl}(phenyl)methanone
CID 137701162
5-(5-Benzyl-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 53378850
3-[3,5-dimethyl-4-[6-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1H-benzimidazol-2-yl]phenyl]propanoic acid
CID 58209293
3-[3,5-dimethyl-4-[6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1H-benzimidazol-2-yl]phenyl]propanoic acid
CID 58209294

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole (CID 123246066) is 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole is c1ccc(Cc2nnc(-c3ccc4nc(-c5cccc(CCc6nnc(-c7ccc8c(c7)ncn8Cc7ccccc7CCc7nnc(-c8ccc9nc[nH]c9c8)o7)o6)c5)[nH]c4c3)o2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is NVVMWBPCSNRPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N12O3/c1-2-7-31(8-3-1)24-47-59-62-51(66-47)36-15-19-40-42(26-36)56-48(55-40)34-12-6-9-32(23-34)13-21-45-57-61-50(64-45)37-16-20-44-43(27-37)54-30-63(44)28-38-11-5-4-10-33(38)17-22-46-58-60-49(65-46)35-14-18-39-41(25-35)53-29-52-39/h1-12,14-16,18-20,23,25-27,29-30H,13,17,21-22,24,28H2,(H,52,53)(H,55,56).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 866.95 g/mol, XLogP of 9.82, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 123246066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).