5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

C18H19FN4O3S — CID 110398734

IUPAC5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4ccc(F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C18H19FN4O3S/c19-14-3-1-13(2-4-14)12-22-7-9-23(10-8-22)27(25,26)15-5-6-16-17(11-15)21-18(24)20-16/h1-6,11H,7-10,12H2,(H2,20,21,24)
InChIKeyRDOJRGDLHOEIGO-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.50
Rot. Bonds4

About 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 110398734) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
PubChem CID110398734
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4ccc(F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C18H19FN4O3S/c19-14-3-1-13(2-4-14)12-22-7-9-23(10-8-22)27(25,26)15-5-6-16-17(11-15)21-18(24)20-16/h1-6,11H,7-10,12H2,(H2,20,21,24)
InChIKeyRDOJRGDLHOEIGO-UHFFFAOYSA-N
XLogP1.50
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
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5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 60538576
5-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 60505532
6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55559273
4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid
CID 119934831
1-[(4-fluorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 110398703
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 2902367
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
5-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110411418
5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 146084118
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (CID 110398734) is 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4ccc(F)cc4)CC3)cc2[nH]1.
What is the InChIKey of 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is RDOJRGDLHOEIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c19-14-3-1-13(2-4-14)12-22-7-9-23(10-8-22)27(25,26)15-5-6-16-17(11-15)21-18(24)20-16/h1-6,11H,7-10,12H2,(H2,20,21,24).
What are the key properties of 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 390.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110398734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).