1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C23H28N4O2S — CID 121477785

IUPAC1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1cccc(-c2ccccc2)c1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C23H28N4O2S/c28-30(29,22-11-4-8-20(18-22)19-6-2-1-3-7-19)27-13-12-24-23(27)26-16-14-25(15-17-26)21-9-5-10-21/h1-4,6-8,11,18,21H,5,9-10,12-17H2
InChIKeyRFHABYMCPAIKCQ-UHFFFAOYSA-N
MW424.57 g/mol
LogP2.88
Rot. Bonds4

About 1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477785) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477785
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1cccc(-c2ccccc2)c1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C23H28N4O2S/c28-30(29,22-11-4-8-20(18-22)19-6-2-1-3-7-19)27-13-12-24-23(27)26-16-14-25(15-17-26)21-9-5-10-21/h1-4,6-8,11,18,21H,5,9-10,12-17H2
InChIKeyRFHABYMCPAIKCQ-UHFFFAOYSA-N
XLogP2.88
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477785) is 1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is RFHABYMCPAIKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c28-30(29,22-11-4-8-20(18-22)19-6-2-1-3-7-19)27-13-12-24-23(27)26-16-14-25(15-17-26)21-9-5-10-21/h1-4,6-8,11,18,21H,5,9-10,12-17H2.
What are the key properties of 1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 424.57 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[1-(3-phenylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).