N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C25H23N3O3 — CID 2448627

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2O1
InChIInChI=1S/C25H23N3O3/c1-25(2)14-16-8-7-13-21(23(16)31-25)30-15-22(29)26-18-10-4-3-9-17(18)24-27-19-11-5-6-12-20(19)28-24/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyUFHZRWMBXHOAPQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.96
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 2448627) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID2448627
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2O1
InChIInChI=1S/C25H23N3O3/c1-25(2)14-16-8-7-13-21(23(16)31-25)30-15-22(29)26-18-10-4-3-9-17(18)24-27-19-11-5-6-12-20(19)28-24/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyUFHZRWMBXHOAPQ-UHFFFAOYSA-N
XLogP4.96
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 2448627) is N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2O1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is UFHZRWMBXHOAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-25(2)14-16-8-7-13-21(23(16)31-25)30-15-22(29)26-18-10-4-3-9-17(18)24-27-19-11-5-6-12-20(19)28-24/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 413.48 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 2448627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).