2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide

C25H30N4O5S — CID 24615493

IUPAC2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)n2C
InChIInChI=1S/C25H30N4O5S/c1-27(2)35(33,34)20-8-9-22-21(16-20)26-23(28(22)3)10-11-24(31)29-14-12-18(13-15-29)25(32)17-4-6-19(30)7-5-17/h4-9,16,18,30H,10-15H2,1-3H3
InChIKeyDCMUPNCWCFVOAI-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.58
Rot. Bonds7

About 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide

2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide (PubChem CID 24615493) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
PubChem CID24615493
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)n2C
InChIInChI=1S/C25H30N4O5S/c1-27(2)35(33,34)20-8-9-22-21(16-20)26-23(28(22)3)10-11-24(31)29-14-12-18(13-15-29)25(32)17-4-6-19(30)7-5-17/h4-9,16,18,30H,10-15H2,1-3H3
InChIKeyDCMUPNCWCFVOAI-UHFFFAOYSA-N
XLogP2.58
TPSA112.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N,1-trimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)benzimidazole-5-sulfonamide
CID 119401535
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55902542
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55971058
2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 41363685
N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 46666978
1-(azepan-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 27658996
ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
CID 27554834
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 25388557
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide
CID 43064901
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24646730
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 25388498
1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide
CID 53064458

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide?
The IUPAC name of 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide (CID 24615493) is 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)n2C.
What is the InChIKey of 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide?
The InChIKey is DCMUPNCWCFVOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-27(2)35(33,34)20-8-9-22-21(16-20)26-23(28(22)3)10-11-24(31)29-14-12-18(13-15-29)25(32)17-4-6-19(30)7-5-17/h4-9,16,18,30H,10-15H2,1-3H3.
What are the key properties of 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide?
2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide has a molecular weight of 498.61 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 24615493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).