N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide

C130H118F15N17O16S3 — CID 167623330

About N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide

N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide (PubChem CID 167623330) has the molecular formula C130H118F15N17O16S3 and a molecular weight of 2555.65 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide
• PubChem CID: 167623330
• Molecular Formula: C130H118F15N17O16S3
• Molecular Weight: 2555.65 g/mol
• Exact Mass: 2553.79
• IUPAC Name: N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide
• SMILES: C=S(=O)(NC1CC1)c1cccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)C(F)(F)F)n(CC)c3c2)c1.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc21
• InChI: InChI=1S/C28H27F3N4O3S.C26H25F3N4O4S.C26H22F3N3O3.C25H22F3N3O4S.C25H22F3N3O2/c1-3-35-24-16-18(25(36)32-21-10-7-11-22(17-21)39(2,38)34-20-13-14-20)12-15-23(24)33-26(35)27(37,28(29,30)31)19-8-5-4-6-9-19;1-4-33-22-16-17(23(34)30-19-11-13-20(14-12-19)38(36,37)32(2)3)10-15-21(22)31-24(33)25(35,26(27,28)29)18-8-6-5-7-9-18;1-3-32-22-15-18(23(34)30-20-11-7-8-17(14-20)16(2)33)12-13-21(22)31-24(32)25(35,26(27,28)29)19-9-5-4-6-10-19;1-3-31-21-15-16(22(32)29-18-10-12-19(13-11-18)36(2,34)35)9-14-20(21)30-23(31)24(33,25(26,27)28)17-7-5-4-6-8-17;1-3-31-21-15-17(22(32)29-19-12-9-16(2)10-13-19)11-14-20(21)30-23(31)24(33,25(26,27)28)18-7-5-4-6-8-18/h4-12,15-17,20,37H,2-3,13-14H2,1H3,(H,32,36)(H,34,38);5-16,35H,4H2,1-3H3,(H,30,34);4-15,35H,3H2,1-2H3,(H,30,34);4-15,33H,3H2,1-2H3,(H,29,32);4-15,33H,3H2,1-2H3,(H,29,32)
• InChIKey: MTAPZHANWBPSBC-UHFFFAOYSA-N
• XLogP: 24.44
• TPSA: 453.44 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2555.65
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide?

The IUPAC name of N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide (CID 167623330) is N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide.

What is the SMILES notation for N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide?

The canonical SMILES for N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide is C=S(=O)(NC1CC1)c1cccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)C(F)(F)F)n(CC)c3c2)c1.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc21.

What is the InChIKey of N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide?

The InChIKey is MTAPZHANWBPSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3S.C26H25F3N4O4S.C26H22F3N3O3.C25H22F3N3O4S.C25H22F3N3O2/c1-3-35-24-16-18(25(36)32-21-10-7-11-22(17-21)39(2,38)34-20-13-14-20)12-15-23(24)33-26(35)27(37,28(29,30)31)19-8-5-4-6-9-19;1-4-33-22-16-17(23(34)30-19-11-13-20(14-12-19)38(36,37)32(2)3)10-15-21(22)31-24(33)25(35,26(27,28)29)18-8-6-5-7-9-18;1-3-32-22-15-18(23(34)30-20-11-7-8-17(14-20)16(2)33)12-13-21(22)31-24(32)25(35,26(27,28)29)19-9-5-4-6-10-19;1-3-31-21-15-16(22(32)29-18-10-12-19(13-11-18)36(2,34)35)9-14-20(21)30-23(31)24(33,25(26,27)28)17-7-5-4-6-8-17;1-3-31-21-15-17(22(32)29-19-12-9-16(2)10-13-19)11-14-20(21)30-23(31)24(33,25(26,27)28)18-7-5-4-6-8-18/h4-12,15-17,20,37H,2-3,13-14H2,1H3,(H,32,36)(H,34,38);5-16,35H,4H2,1-3H3,(H,30,34);4-15,35H,3H2,1-2H3,(H,30,34);4-15,33H,3H2,1-2H3,(H,29,32);4-15,33H,3H2,1-2H3,(H,29,32).

What are the key properties of N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide?

N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide has a molecular weight of 2555.65 g/mol, XLogP of 24.44, 32 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[3-[(cyclopropylamino)-methylidene-oxo-λ6-sulfanyl]phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;N-[4-(dimethylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 167623330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).