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

C23H34N4S — CID 145118219

IUPAC1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(SN2CC(C3CC3)N=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C23H34N4S/c1-17(2)18-8-10-21(11-9-18)28-27-16-22(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
InChIKeyRHBSPDUSAXOUAT-UHFFFAOYSA-N
MW398.62 g/mol
LogP4.44
Rot. Bonds5

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

1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 145118219) has the molecular formula C23H34N4S and a molecular weight of 398.62 g/mol. Its IUPAC name is 1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID145118219
Molecular FormulaC23H34N4S
Molecular Weight398.62 g/mol
Exact Mass398.25
IUPAC Name1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(SN2CC(C3CC3)N=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C23H34N4S/c1-17(2)18-8-10-21(11-9-18)28-27-16-22(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
InChIKeyRHBSPDUSAXOUAT-UHFFFAOYSA-N
XLogP4.44
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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

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Related Compounds

1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
CID 158425954
1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
CID 121477813
2-(4-propan-2-ylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929962
4-methyl-1-[1-(4-propan-2-ylphenyl)sulfanylpiperidin-4-yl]piperidine
CID 146666970
1-cyclobutyl-4-[1-[4-(2-methylpyrazol-3-yl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
CID 166978341
1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
CID 166978377
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine
CID 170175295
1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine
CID 178164584
butane;1-cyclobutyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine;ethane
CID 145118393
1-(2-methylbutyl)-4-[1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
CID 145118242
(2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine
CID 121262106

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine (CID 145118219) is 1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine is CC(C)c1ccc(SN2CC(C3CC3)N=C2N2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is RHBSPDUSAXOUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4S/c1-17(2)18-8-10-21(11-9-18)28-27-16-22(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.
What are the key properties of 1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 398.62 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 145118219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).