1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide

C36H26Cl2N10O8 — CID 156790450

IUPAC1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide
SMILESCOc1c(C(N)=O)ccc2c1nc(-c1ccc(Cl)cc1-c1n[nH]c(=O)o1)n2CCn1c(-c2ccc(Cl)cc2-c2n[nH]c(=O)o2)nc2c(OC)c(C(N)=O)ccc21
InChIInChI=1S/C36H26Cl2N10O8/c1-53-27-19(29(39)49)7-9-23-25(27)41-31(17-5-3-15(37)13-21(17)33-43-45-35(51)55-33)47(23)11-12-48-24-10-8-20(30(40)50)28(54-2)26(24)42-32(48)18-6-4-16(38)14-22(18)34-44-46-36(52)56-34/h3-10,13-14H,11-12H2,1-2H3,(H2,39,49)(H2,40,50)(H,45,51)(H,46,52)
InChIKeyMFHHOYAGRHCROR-UHFFFAOYSA-N
MW797.57 g/mol
LogP4.63
Rot. Bonds11

About 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide

1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide (PubChem CID 156790450) has the molecular formula C36H26Cl2N10O8 and a molecular weight of 797.57 g/mol. Its IUPAC name is 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide
PubChem CID156790450
Molecular FormulaC36H26Cl2N10O8
Molecular Weight797.57 g/mol
Exact Mass796.13
IUPAC Name1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide
SMILESCOc1c(C(N)=O)ccc2c1nc(-c1ccc(Cl)cc1-c1n[nH]c(=O)o1)n2CCn1c(-c2ccc(Cl)cc2-c2n[nH]c(=O)o2)nc2c(OC)c(C(N)=O)ccc21
InChIInChI=1S/C36H26Cl2N10O8/c1-53-27-19(29(39)49)7-9-23-25(27)41-31(17-5-3-15(37)13-21(17)33-43-45-35(51)55-33)47(23)11-12-48-24-10-8-20(30(40)50)28(54-2)26(24)42-32(48)18-6-4-16(38)14-22(18)34-44-46-36(52)56-34/h3-10,13-14H,11-12H2,1-2H3,(H2,39,49)(H2,40,50)(H,45,51)(H,46,52)
InChIKeyMFHHOYAGRHCROR-UHFFFAOYSA-N
XLogP4.63
TPSA258.06 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.57
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide?
The IUPAC name of 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide (CID 156790450) is 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide?
The canonical SMILES for 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide is COc1c(C(N)=O)ccc2c1nc(-c1ccc(Cl)cc1-c1n[nH]c(=O)o1)n2CCn1c(-c2ccc(Cl)cc2-c2n[nH]c(=O)o2)nc2c(OC)c(C(N)=O)ccc21.
What is the InChIKey of 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide?
The InChIKey is MFHHOYAGRHCROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26Cl2N10O8/c1-53-27-19(29(39)49)7-9-23-25(27)41-31(17-5-3-15(37)13-21(17)33-43-45-35(51)55-33)47(23)11-12-48-24-10-8-20(30(40)50)28(54-2)26(24)42-32(48)18-6-4-16(38)14-22(18)34-44-46-36(52)56-34/h3-10,13-14H,11-12H2,1-2H3,(H2,39,49)(H2,40,50)(H,45,51)(H,46,52).
What are the key properties of 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide?
1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide has a molecular weight of 797.57 g/mol, XLogP of 4.63, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-carbamoyl-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazol-1-yl]ethyl]-2-[4-chloro-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-methoxybenzimidazole-5-carboxamide is sourced from PubChem (CID 156790450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).