1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine

C17H22Cl2N4OS — CID 145118228

IUPAC1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(c1ccc(Cl)c(Cl)c1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C17H22Cl2N4OS/c18-15-5-4-14(12-16(15)19)25(24)23-7-6-20-17(23)22-10-8-21(9-11-22)13-2-1-3-13/h4-5,12-13H,1-3,6-11H2
InChIKeyAWMZOKPVKPWIEW-UHFFFAOYSA-N
MW401.36 g/mol
LogP2.86
Rot. Bonds3

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

1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 145118228) has the molecular formula C17H22Cl2N4OS and a molecular weight of 401.36 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID145118228
Molecular FormulaC17H22Cl2N4OS
Molecular Weight401.36 g/mol
Exact Mass400.09
IUPAC Name1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(c1ccc(Cl)c(Cl)c1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C17H22Cl2N4OS/c18-15-5-4-14(12-16(15)19)25(24)23-7-6-20-17(23)22-10-8-21(9-11-22)13-2-1-3-13/h4-5,12-13H,1-3,6-11H2
InChIKeyAWMZOKPVKPWIEW-UHFFFAOYSA-N
XLogP2.86
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine (CID 145118228) is 1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine is O=S(c1ccc(Cl)c(Cl)c1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is AWMZOKPVKPWIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4OS/c18-15-5-4-14(12-16(15)19)25(24)23-7-6-20-17(23)22-10-8-21(9-11-22)13-2-1-3-13/h4-5,12-13H,1-3,6-11H2.
What are the key properties of 1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 401.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 145118228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).