N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide

C52H47F6N7O6S — CID 167619984

IUPACN-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C)c3)cc21
InChIInChI=1S/C27H25F3N4O4S.C25H22F3N3O2/c1-2-34-23-16-17(24(35)31-19-11-13-21(14-12-19)39(37,38)33-20-9-10-20)8-15-22(23)32-25(34)26(36,27(28,29)30)18-6-4-3-5-7-18;1-3-31-21-15-17(22(32)29-19-11-7-8-16(2)14-19)12-13-20(21)30-23(31)24(33,25(26,27)28)18-9-5-4-6-10-18/h3-8,11-16,20,33,36H,2,9-10H2,1H3,(H,31,35);4-15,33H,3H2,1-2H3,(H,29,32)
InChIKeyMHLXYGPJLIYHAD-UHFFFAOYSA-N
MW1012.05 g/mol
LogP9.96
Rot. Bonds13

About N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide

N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide (PubChem CID 167619984) has the molecular formula C52H47F6N7O6S and a molecular weight of 1012.05 g/mol. Its IUPAC name is N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide
PubChem CID167619984
Molecular FormulaC52H47F6N7O6S
Molecular Weight1012.05 g/mol
Exact Mass1011.32
IUPAC NameN-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C)c3)cc21
InChIInChI=1S/C27H25F3N4O4S.C25H22F3N3O2/c1-2-34-23-16-17(24(35)31-19-11-13-21(14-12-19)39(37,38)33-20-9-10-20)8-15-22(23)32-25(34)26(36,27(28,29)30)18-6-4-3-5-7-18;1-3-31-21-15-17(22(32)29-19-11-7-8-16(2)14-19)12-13-20(21)30-23(31)24(33,25(26,27)28)18-9-5-4-6-10-18/h3-8,11-16,20,33,36H,2,9-10H2,1H3,(H,31,35);4-15,33H,3H2,1-2H3,(H,29,32)
InChIKeyMHLXYGPJLIYHAD-UHFFFAOYSA-N
XLogP9.96
TPSA180.47 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.05
LogP ≤ 59.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide with MolForge

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Related Compounds

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide
CID 126726296
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide
CID 126726303
3-ethyl-N-(3-ethylphenyl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726326
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(3-methylphenyl)benzimidazole-5-carboxamide
CID 126726349
3-ethyl-N-(1-ethyl-6-oxopiperidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726352
3-ethyl-N-[(3S)-1-ethylpyrrolidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726354
3-ethyl-N-[(3R)-1-ethylpyrrolidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726355
3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726365
3-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726368
3-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726375
3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726377
2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-[(3S)-1-ethyl-6-oxopiperidin-3-yl]benzimidazole-5-carboxamide
CID 126726378

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide (CID 167619984) is N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C)c3)cc21.
What is the InChIKey of N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide?
The InChIKey is MHLXYGPJLIYHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O4S.C25H22F3N3O2/c1-2-34-23-16-17(24(35)31-19-11-13-21(14-12-19)39(37,38)33-20-9-10-20)8-15-22(23)32-25(34)26(36,27(28,29)30)18-6-4-3-5-7-18;1-3-31-21-15-17(22(32)29-19-11-7-8-16(2)14-19)12-13-20(21)30-23(31)24(33,25(26,27)28)18-9-5-4-6-10-18/h3-8,11-16,20,33,36H,2,9-10H2,1H3,(H,31,35);4-15,33H,3H2,1-2H3,(H,29,32).
What are the key properties of N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide?
N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide has a molecular weight of 1012.05 g/mol, XLogP of 9.96, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 167619984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).