2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide

C22H26N4O4S — CID 57396633

IUPAC2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(C4CCCC4)nc23)cc1
InChIInChI=1S/C22H26N4O4S/c1-31(29,30)26-16-8-6-14(7-9-16)12-13-23-22(28)17-10-11-18(27)20-19(17)24-21(25-20)15-4-2-3-5-15/h6-11,15,26-27H,2-5,12-13H2,1H3,(H,23,28)(H,24,25)
InChIKeyOSGOEXDFPUYQTQ-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.27
Rot. Bonds7

About 2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide

2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 57396633) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
PubChem CID57396633
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(C4CCCC4)nc23)cc1
InChIInChI=1S/C22H26N4O4S/c1-31(29,30)26-16-8-6-14(7-9-16)12-13-23-22(28)17-10-11-18(27)20-19(17)24-21(25-20)15-4-2-3-5-15/h6-11,15,26-27H,2-5,12-13H2,1H3,(H,23,28)(H,24,25)
InChIKeyOSGOEXDFPUYQTQ-UHFFFAOYSA-N
XLogP3.27
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Dichloro-Phenyl)-7-Hydroxy-1h-Benzoimidazole-4-Carboxylic Acid [2-(4-Methanesulfonylamino-Phenyl)-Ethyl]-Amide
CID 16758212
2-(4-fluorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
CID 9869237
4-Hydroxy-N-phenethyl-2-phenyl-1H-benzo[d]imidazole-7-carboxamide
CID 44441925
2-(2,4-dichlorophenyl)-7-hydroxy-N-[4-[2-(methanesulfonamido)ethyl]phenyl]-1H-benzimidazole-4-carboxamide
CID 10256075
N-benzyl-7-hydroxy-2-phenyl-1H-benzo[d]imidazole-4-carboxamide
CID 10382823
N-(4-(methylsulfonamido)phenethyl)-7-hydroxy-2-phenyl-1H-benzo[d]imidazole-4-carboxamide
CID 24180565
2-(2,4-dichlorophenyl)-7-hydroxy-N-phenethyl-1H-benzo[d]imidazole-4-carboxamide
CID 44441935
N-(4-(2-morpholinoacetamido)phenethyl)-2-(4-fluorophenyl)-7-hydroxy-1H-benzo[d]imidazole-4-carboxamide
CID 45267779
2-(2,4-dichlorophenyl)-N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-1H-benzimidazole-4-carboxamide
CID 45268667
2-(2-chloro-4-fluorophenyl)-N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-1H-benzimidazole-4-carboxamide
CID 45272193
2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
CID 57328617
2-(2-chloro-4-fluorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
CID 57393133

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide (CID 57396633) is 2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide is CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(C4CCCC4)nc23)cc1.
What is the InChIKey of 2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is OSGOEXDFPUYQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-31(29,30)26-16-8-6-14(7-9-16)12-13-23-22(28)17-10-11-18(27)20-19(17)24-21(25-20)15-4-2-3-5-15/h6-11,15,26-27H,2-5,12-13H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide?
2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 57396633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).