N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide

C23H15F2N3O3S — CID 59225730

IUPACN-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide
SMILESCC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H15F2N3O3S/c1-12(29)19-14(20-26-15-7-3-4-8-16(15)28(20)23(24)25)11-32-22(19)27-21(30)18-10-13-6-2-5-9-17(13)31-18/h2-11,23H,1H3,(H,27,30)
InChIKeyKNMZSJKLBNZKNX-UHFFFAOYSA-N
MW451.45 g/mol
LogP6.36
Rot. Bonds5

About N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide

N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 59225730) has the molecular formula C23H15F2N3O3S and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide
PubChem CID59225730
Molecular FormulaC23H15F2N3O3S
Molecular Weight451.45 g/mol
Exact Mass451.08
IUPAC NameN-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide
SMILESCC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H15F2N3O3S/c1-12(29)19-14(20-26-15-7-3-4-8-16(15)28(20)23(24)25)11-32-22(19)27-21(30)18-10-13-6-2-5-9-17(13)31-18/h2-11,23H,1H3,(H,27,30)
InChIKeyKNMZSJKLBNZKNX-UHFFFAOYSA-N
XLogP6.36
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide (CID 59225730) is N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide is CC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is KNMZSJKLBNZKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O3S/c1-12(29)19-14(20-26-15-7-3-4-8-16(15)28(20)23(24)25)11-32-22(19)27-21(30)18-10-13-6-2-5-9-17(13)31-18/h2-11,23H,1H3,(H,27,30).
What are the key properties of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide?
N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59225730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).