1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole

C18H18F2N4O2S — CID 17422149

IUPAC1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(Cn2cnc3ccccc32)CC1
InChIInChI=1S/C18H18F2N4O2S/c19-14-5-6-18(15(20)11-14)27(25,26)24-9-7-22(8-10-24)13-23-12-21-16-3-1-2-4-17(16)23/h1-6,11-12H,7-10,13H2
InChIKeyNABODUCIHVJBAU-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.28
Rot. Bonds4

About 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole

1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole (PubChem CID 17422149) has the molecular formula C18H18F2N4O2S and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole
PubChem CID17422149
Molecular FormulaC18H18F2N4O2S
Molecular Weight392.43 g/mol
Exact Mass392.11
IUPAC Name1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(Cn2cnc3ccccc32)CC1
InChIInChI=1S/C18H18F2N4O2S/c19-14-5-6-18(15(20)11-14)27(25,26)24-9-7-22(8-10-24)13-23-12-21-16-3-1-2-4-17(16)23/h1-6,11-12H,7-10,13H2
InChIKeyNABODUCIHVJBAU-UHFFFAOYSA-N
XLogP2.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole 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

1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole
CID 18125983
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide
CID 51200722
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875306
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571628
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole
CID 22285131
N-[3-(benzimidazol-1-yl)propyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 55457370
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8771330
1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 134017145

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole (CID 17422149) is 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole is O=S(=O)(c1ccc(F)cc1F)N1CCN(Cn2cnc3ccccc32)CC1.
What is the InChIKey of 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole?
The InChIKey is NABODUCIHVJBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S/c19-14-5-6-18(15(20)11-14)27(25,26)24-9-7-22(8-10-24)13-23-12-21-16-3-1-2-4-17(16)23/h1-6,11-12H,7-10,13H2.
What are the key properties of 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole?
1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole has a molecular weight of 392.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 17422149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).