(2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C21H32N4O2S — CID 121477814

IUPAC(2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)[C@@H](C)C2)cc1
InChIInChI=1S/C21H32N4O2S/c1-16(2)18-7-9-20(10-8-18)28(26,27)25-12-11-22-21(25)23-13-14-24(17(3)15-23)19-5-4-6-19/h7-10,16-17,19H,4-6,11-15H2,1-3H3/t17-/m0/s1
InChIKeyDGZAKXCWCBQAJB-KRWDZBQOSA-N
MW404.58 g/mol
LogP2.73
Rot. Bonds4

About (2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

(2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477814) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is (2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name(2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477814
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name(2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)[C@@H](C)C2)cc1
InChIInChI=1S/C21H32N4O2S/c1-16(2)18-7-9-20(10-8-18)28(26,27)25-12-11-22-21(25)23-13-14-24(17(3)15-23)19-5-4-6-19/h7-10,16-17,19H,4-6,11-15H2,1-3H3/t17-/m0/s1
InChIKeyDGZAKXCWCBQAJB-KRWDZBQOSA-N
XLogP2.73
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of (2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477814) is (2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for (2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for (2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)[C@@H](C)C2)cc1.
What is the InChIKey of (2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is DGZAKXCWCBQAJB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-16(2)18-7-9-20(10-8-18)28(26,27)25-12-11-22-21(25)23-13-14-24(17(3)15-23)19-5-4-6-19/h7-10,16-17,19H,4-6,11-15H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
(2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 404.58 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclobutyl-2-methyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).