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

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Related Compounds

Pf-05212377
CID 46203710
1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole
CID 804705
1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid
CID 2772526
1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole
CID 594620
2-Ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 126720397
1-(Toluene-4-sulfonyl)-1H-benzoimidazole
CID 746711
4-methyl-N-(2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenyl)benzenesulfonamide
CID 1147318
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide
CID 2039682
4-methyl-N-[2-(phenylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide
CID 2211754
2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 5308283
1-Methyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimidazole
CID 2773179
Piperidine, 1-[(1-ethyl-2-methyl-1H-benzimidazol-5-yl)sulfonyl]-
CID 2828846

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).