1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C20H29FN4O2S — CID 121477818

IUPAC1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CC(F)C3)CC2)cc1
InChIInChI=1S/C20H29FN4O2S/c1-15(2)16-3-5-19(6-4-16)28(26,27)25-8-7-22-20(25)24-11-9-23(10-12-24)18-13-17(21)14-18/h3-6,15,17-18H,7-14H2,1-2H3
InChIKeyFXTAEGNWBKAXQS-UHFFFAOYSA-N
MW408.54 g/mol
LogP2.29
Rot. Bonds4

About 1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477818) has the molecular formula C20H29FN4O2S and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477818
Molecular FormulaC20H29FN4O2S
Molecular Weight408.54 g/mol
Exact Mass408.20
IUPAC Name1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CC(F)C3)CC2)cc1
InChIInChI=1S/C20H29FN4O2S/c1-15(2)16-3-5-19(6-4-16)28(26,27)25-8-7-22-20(25)24-11-9-23(10-12-24)18-13-17(21)14-18/h3-6,15,17-18H,7-14H2,1-2H3
InChIKeyFXTAEGNWBKAXQS-UHFFFAOYSA-N
XLogP2.29
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477818) is 1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CC(F)C3)CC2)cc1.
What is the InChIKey of 1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is FXTAEGNWBKAXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2S/c1-15(2)16-3-5-19(6-4-16)28(26,27)25-8-7-22-20(25)24-11-9-23(10-12-24)18-13-17(21)14-18/h3-6,15,17-18H,7-14H2,1-2H3.
What are the key properties of 1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 408.54 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclobutyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).