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

C23H34N4O2S — CID 121472730

IUPAC1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2C[C@H](C3CC3)N=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C23H34N4O2S/c1-17(2)18-8-10-21(11-9-18)30(28,29)27-16-22(19-6-7-19)24-23(27)26-14-12-25(13-15-26)20-4-3-5-20/h8-11,17,19-20,22H,3-7,12-16H2,1-2H3/t22-/m1/s1
InChIKeyJCZZXBBNDUHTEO-JOCHJYFZSA-N
MW430.62 g/mol
LogP3.12
Rot. Bonds5

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

1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121472730) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121472730
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2C[C@H](C3CC3)N=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C23H34N4O2S/c1-17(2)18-8-10-21(11-9-18)30(28,29)27-16-22(19-6-7-19)24-23(27)26-14-12-25(13-15-26)20-4-3-5-20/h8-11,17,19-20,22H,3-7,12-16H2,1-2H3/t22-/m1/s1
InChIKeyJCZZXBBNDUHTEO-JOCHJYFZSA-N
XLogP3.12
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine with MolForge

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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
US10202354, Example 98
CID 121477833
US10202354, Example 41
CID 121472695
US10202354, Example 38
CID 121472701
US10202354, Example 39
CID 121472723

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121472730) is 1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CC(C)c1ccc(S(=O)(=O)N2C[C@H](C3CC3)N=C2N2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is JCZZXBBNDUHTEO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-17(2)18-8-10-21(11-9-18)30(28,29)27-16-22(19-6-7-19)24-23(27)26-14-12-25(13-15-26)20-4-3-5-20/h8-11,17,19-20,22H,3-7,12-16H2,1-2H3/t22-/m1/s1.
What are the key properties of 1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 430.62 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[(4S)-4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121472730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).