1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole

C19H21FN4O2S — CID 1462239

IUPAC1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole
SMILESCCn1c(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C19H21FN4O2S/c1-2-24-18-9-4-3-8-17(18)21-19(24)22-10-12-23(13-11-22)27(25,26)16-7-5-6-15(20)14-16/h3-9,14H,2,10-13H2,1H3
InChIKeyMFOIZUVIOPWHOH-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.71
Rot. Bonds4

About 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole

1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole (PubChem CID 1462239) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole
PubChem CID1462239
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole
SMILESCCn1c(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C19H21FN4O2S/c1-2-24-18-9-4-3-8-17(18)21-19(24)22-10-12-23(13-11-22)27(25,26)16-7-5-6-15(20)14-16/h3-9,14H,2,10-13H2,1H3
InChIKeyMFOIZUVIOPWHOH-UHFFFAOYSA-N
XLogP2.71
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole?
The IUPAC name of 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole (CID 1462239) is 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole is CCn1c(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole?
The InChIKey is MFOIZUVIOPWHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-2-24-18-9-4-3-8-17(18)21-19(24)22-10-12-23(13-11-22)27(25,26)16-7-5-6-15(20)14-16/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole?
1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole has a molecular weight of 388.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole is sourced from PubChem (CID 1462239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).