5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide

C26H22F6N4O4S — CID 10371377

IUPAC5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide
SMILESCCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(C(F)(F)F)c2c1
InChIInChI=1S/C26H22F6N4O4S/c1-2-19-34-21(14-8-9-14)22(24(33)37)36(19)12-13-7-10-18-16(11-13)20(25(27,28)29)23(40-18)15-5-3-4-6-17(15)35-41(38,39)26(30,31)32/h3-7,10-11,14,35H,2,8-9,12H2,1H3,(H2,33,37)
InChIKeyUVFOPYBSQPAXJS-UHFFFAOYSA-N
MW600.54 g/mol
LogP6.16
Rot. Bonds8

About 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide

5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide (PubChem CID 10371377) has the molecular formula C26H22F6N4O4S and a molecular weight of 600.54 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide
PubChem CID10371377
Molecular FormulaC26H22F6N4O4S
Molecular Weight600.54 g/mol
Exact Mass600.13
IUPAC Name5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide
SMILESCCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(C(F)(F)F)c2c1
InChIInChI=1S/C26H22F6N4O4S/c1-2-19-34-21(14-8-9-14)22(24(33)37)36(19)12-13-7-10-18-16(11-13)20(25(27,28)29)23(40-18)15-5-3-4-6-17(15)35-41(38,39)26(30,31)32/h3-7,10-11,14,35H,2,8-9,12H2,1H3,(H2,33,37)
InChIKeyUVFOPYBSQPAXJS-UHFFFAOYSA-N
XLogP6.16
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.54
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide (CID 10371377) is 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide is CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(C(F)(F)F)c2c1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide?
The InChIKey is UVFOPYBSQPAXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6N4O4S/c1-2-19-34-21(14-8-9-14)22(24(33)37)36(19)12-13-7-10-18-16(11-13)20(25(27,28)29)23(40-18)15-5-3-4-6-17(15)35-41(38,39)26(30,31)32/h3-7,10-11,14,35H,2,8-9,12H2,1H3,(H2,33,37).
What are the key properties of 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide?
5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide has a molecular weight of 600.54 g/mol, XLogP of 6.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-3-[[3-(trifluoromethyl)-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 10371377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).