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

C24H17Cl2F2N3O3S — CID 90804101

IUPACN-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane
SMILESCC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1NC(=O)c1cc2ccccc2o1.ClCCl
InChIInChI=1S/C23H15F2N3O3S.CH2Cl2/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;2-1-3/h2-11,23H,1H3,(H,27,30);1H2
InChIKeyRFHZCNCCYYJVMI-UHFFFAOYSA-N
MW536.39 g/mol
LogP7.78
Rot. Bonds5

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

N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane (PubChem CID 90804101) has the molecular formula C24H17Cl2F2N3O3S and a molecular weight of 536.39 g/mol. Its IUPAC name is N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane.

Molecular Properties

Compound NameN-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane
PubChem CID90804101
Molecular FormulaC24H17Cl2F2N3O3S
Molecular Weight536.39 g/mol
Exact Mass535.03
IUPAC NameN-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane
SMILESCC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1NC(=O)c1cc2ccccc2o1.ClCCl
InChIInChI=1S/C23H15F2N3O3S.CH2Cl2/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;2-1-3/h2-11,23H,1H3,(H,27,30);1H2
InChIKeyRFHZCNCCYYJVMI-UHFFFAOYSA-N
XLogP7.78
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.39
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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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;dichloromethane?
The IUPAC name of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane (CID 90804101) is N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane.
What is the SMILES notation for N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane?
The canonical SMILES for N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane is CC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1NC(=O)c1cc2ccccc2o1.ClCCl.
What is the InChIKey of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane?
The InChIKey is RFHZCNCCYYJVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O3S.CH2Cl2/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;2-1-3/h2-11,23H,1H3,(H,27,30);1H2.
What are the key properties of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane?
N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane has a molecular weight of 536.39 g/mol, XLogP of 7.78, 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;dichloromethane is sourced from PubChem (CID 90804101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).