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

C19H28N4O2S — CID 121477774

IUPAC1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCc1cc(C)cc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)c1
InChIInChI=1S/C19H28N4O2S/c1-15-12-16(2)14-18(13-15)26(24,25)23-7-6-20-19(23)22-10-8-21(9-11-22)17-4-3-5-17/h12-14,17H,3-11H2,1-2H3
InChIKeyIGOQFTHTYAASLV-UHFFFAOYSA-N
MW376.53 g/mol
LogP1.83
Rot. Bonds3

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

1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477774) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477774
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCc1cc(C)cc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)c1
InChIInChI=1S/C19H28N4O2S/c1-15-12-16(2)14-18(13-15)26(24,25)23-7-6-20-19(23)22-10-8-21(9-11-22)17-4-3-5-17/h12-14,17H,3-11H2,1-2H3
InChIKeyIGOQFTHTYAASLV-UHFFFAOYSA-N
XLogP1.83
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10202354, Example 60
CID 121477794
US10202354, Example 40
CID 121477818
US10202354, Example 11
CID 121477848
US10202354, Example 26
CID 121477853
US10202354, Example 27
CID 121477855
US10202354, Example 25
CID 121477857
4-methyl-N-(2-(3-methylphenylsulfonamido)ethyl)piperidine-1-carboximidamide
CID 45272864
US10202354, Example 103
CID 121477837
US10202354, Example 41
CID 121472695
US10202354, Example 39
CID 121472723
US10202354, Example 92
CID 121472725
US10202354, Example 42
CID 121472730

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477774) is 1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is Cc1cc(C)cc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)c1.
What is the InChIKey of 1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is IGOQFTHTYAASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-15-12-16(2)14-18(13-15)26(24,25)23-7-6-20-19(23)22-10-8-21(9-11-22)17-4-3-5-17/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 376.53 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[1-(3,5-dimethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).