1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine

C21H25FN4O4S — CID 53006689

IUPAC1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN4O4S/c1-29-18-7-8-19(30-2)20(15-18)31(27,28)26-10-9-23-21(26)25-13-11-24(12-14-25)17-5-3-16(22)4-6-17/h3-8,15H,9-14H2,1-2H3
InChIKeyHEWMPKHUXOIQJK-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.03
Rot. Bonds5

About 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine

1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine (PubChem CID 53006689) has the molecular formula C21H25FN4O4S and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine
PubChem CID53006689
Molecular FormulaC21H25FN4O4S
Molecular Weight448.52 g/mol
Exact Mass448.16
IUPAC Name1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN4O4S/c1-29-18-7-8-19(30-2)20(15-18)31(27,28)26-10-9-23-21(26)25-13-11-24(12-14-25)17-5-3-16(22)4-6-17/h3-8,15H,9-14H2,1-2H3
InChIKeyHEWMPKHUXOIQJK-UHFFFAOYSA-N
XLogP2.03
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
CID 53072053
4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole
CID 53006688
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
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1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide
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1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1294502
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
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1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
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CID 132609514
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CID 110635273
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 35881835

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine (CID 53006689) is 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine?
The InChIKey is HEWMPKHUXOIQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4S/c1-29-18-7-8-19(30-2)20(15-18)31(27,28)26-10-9-23-21(26)25-13-11-24(12-14-25)17-5-3-16(22)4-6-17/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine?
1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine has a molecular weight of 448.52 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 53006689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).