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

C24H30N4S — CID 166978377

IUPAC1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCc1cccc(-c2ccc(SN3CCN=C3N3CCN(C4CCC4)CC3)cc2)c1
InChIInChI=1S/C24H30N4S/c1-19-4-2-5-21(18-19)20-8-10-23(11-9-20)29-28-13-12-25-24(28)27-16-14-26(15-17-27)22-6-3-7-22/h2,4-5,8-11,18,22H,3,6-7,12-17H2,1H3
InChIKeyCKHDSZZVTOEUAV-UHFFFAOYSA-N
MW406.60 g/mol
LogP4.51
Rot. Bonds4

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

1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 166978377) has the molecular formula C24H30N4S and a molecular weight of 406.60 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID166978377
Molecular FormulaC24H30N4S
Molecular Weight406.60 g/mol
Exact Mass406.22
IUPAC Name1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCc1cccc(-c2ccc(SN3CCN=C3N3CCN(C4CCC4)CC3)cc2)c1
InChIInChI=1S/C24H30N4S/c1-19-4-2-5-21(18-19)20-8-10-23(11-9-20)29-28-13-12-25-24(28)27-16-14-26(15-17-27)22-6-3-7-22/h2,4-5,8-11,18,22H,3,6-7,12-17H2,1H3
InChIKeyCKHDSZZVTOEUAV-UHFFFAOYSA-N
XLogP4.51
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine (CID 166978377) is 1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine is Cc1cccc(-c2ccc(SN3CCN=C3N3CCN(C4CCC4)CC3)cc2)c1.
What is the InChIKey of 1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is CKHDSZZVTOEUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4S/c1-19-4-2-5-21(18-19)20-8-10-23(11-9-20)29-28-13-12-25-24(28)27-16-14-26(15-17-27)22-6-3-7-22/h2,4-5,8-11,18,22H,3,6-7,12-17H2,1H3.
What are the key properties of 1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 406.60 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[1-[4-(3-methylphenyl)phenyl]sulfanyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 166978377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).