2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide

C22H26FN5O3S — CID 20955785

IUPAC2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)n2C
InChIInChI=1S/C22H26FN5O3S/c1-25(2)22(29)16-4-9-20-19(14-16)24-21(26(20)3)15-27-10-12-28(13-11-27)32(30,31)18-7-5-17(23)6-8-18/h4-9,14H,10-13,15H2,1-3H3
InChIKeyCXLISEYBJBENAH-UHFFFAOYSA-N
MW459.55 g/mol
LogP1.92
Rot. Bonds5

About 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide

2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide (PubChem CID 20955785) has the molecular formula C22H26FN5O3S and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
PubChem CID20955785
Molecular FormulaC22H26FN5O3S
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)n2C
InChIInChI=1S/C22H26FN5O3S/c1-25(2)22(29)16-4-9-20-19(14-16)24-21(26(20)3)15-27-10-12-28(13-11-27)32(30,31)18-7-5-17(23)6-8-18/h4-9,14H,10-13,15H2,1-3H3
InChIKeyCXLISEYBJBENAH-UHFFFAOYSA-N
XLogP1.92
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide 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

2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822527
N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
CID 20955787
N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
CID 46379877
1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 50822466
N,N,1-trimethyl-2-[[4-(3-phenylpropanoyl)piperazin-1-yl]methyl]benzimidazole-5-carboxamide
CID 50822579
2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822515
2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide
CID 100776455
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822596
2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50823989
2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 50823827
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
2-[[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 50823801

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide (CID 20955785) is 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide is CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)n2C.
What is the InChIKey of 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
The InChIKey is CXLISEYBJBENAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3S/c1-25(2)22(29)16-4-9-20-19(14-16)24-21(26(20)3)15-27-10-12-28(13-11-27)32(30,31)18-7-5-17(23)6-8-18/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 20955785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).