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

C18H26N4O2S — CID 121477787

IUPAC1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCc1cccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)c1
InChIInChI=1S/C18H26N4O2S/c1-15-4-2-7-17(14-15)25(23,24)22-9-8-19-18(22)21-12-10-20(11-13-21)16-5-3-6-16/h2,4,7,14,16H,3,5-6,8-13H2,1H3
InChIKeyKTAYFCGYAWVGNS-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.53
Rot. Bonds3

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

1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477787) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477787
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCc1cccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)c1
InChIInChI=1S/C18H26N4O2S/c1-15-4-2-7-17(14-15)25(23,24)22-9-8-19-18(22)21-12-10-20(11-13-21)16-5-3-6-16/h2,4,7,14,16H,3,5-6,8-13H2,1H3
InChIKeyKTAYFCGYAWVGNS-UHFFFAOYSA-N
XLogP1.53
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10202354, Example 60
CID 121477794
US10202354, Example 12
CID 121477799
US10202354, Example 4
CID 121477803
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
N-[(2S)-1-[(5S)-2-amino-5-(2-methylpropyl)-4,5-dihydroimidazol-1-yl]-3-phenylpropan-2-yl]benzenesulfonamide
CID 156012132
US10202354, Example 103
CID 121477837
US10202354, Example 107
CID 121477838

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477787) is 1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is Cc1cccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)c1.
What is the InChIKey of 1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is KTAYFCGYAWVGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-15-4-2-7-17(14-15)25(23,24)22-9-8-19-18(22)21-12-10-20(11-13-21)16-5-3-6-16/h2,4,7,14,16H,3,5-6,8-13H2,1H3.
What are the key properties of 1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-(3-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 362.50 g/mol, XLogP of 1.53, 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-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).