1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine

C29H30N4 — CID 141040855

IUPAC1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine
SMILESC(=Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)CN1CCNCC1
InChIInChI=1S/C29H30N4/c1-4-11-25(12-5-1)29(26-13-6-2-7-14-26,27-15-8-3-9-16-27)33-24-31-23-28(33)17-10-20-32-21-18-30-19-22-32/h1-17,23-24,30H,18-22H2
InChIKeyCCRXYMHSBRKWAR-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.64
Rot. Bonds7

About 1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine

1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine (PubChem CID 141040855) has the molecular formula C29H30N4 and a molecular weight of 434.59 g/mol. Its IUPAC name is 1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine
PubChem CID141040855
Molecular FormulaC29H30N4
Molecular Weight434.59 g/mol
Exact Mass434.25
IUPAC Name1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine
SMILESC(=Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)CN1CCNCC1
InChIInChI=1S/C29H30N4/c1-4-11-25(12-5-1)29(26-13-6-2-7-14-26,27-15-8-3-9-16-27)33-24-31-23-28(33)17-10-20-32-21-18-30-19-22-32/h1-17,23-24,30H,18-22H2
InChIKeyCCRXYMHSBRKWAR-UHFFFAOYSA-N
XLogP4.64
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353
2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol
CID 14070346
2-phenyl-3-(3-tritylimidazol-4-yl)prop-2-enal
CID 130300341
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295
1-tritylpiperazine
CID 11472931
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[(E)-3-phenylprop-2-enyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 44768199
1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine
CID 141351590
1-(3-tritylimidazol-4-yl)prop-2-en-1-ol
CID 166068296
2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one
CID 134546049
1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine
CID 95457646

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine?
The IUPAC name of 1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine (CID 141040855) is 1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine is C(=Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)CN1CCNCC1.
What is the InChIKey of 1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine?
The InChIKey is CCRXYMHSBRKWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4/c1-4-11-25(12-5-1)29(26-13-6-2-7-14-26,27-15-8-3-9-16-27)33-24-31-23-28(33)17-10-20-32-21-18-30-19-22-32/h1-17,23-24,30H,18-22H2.
What are the key properties of 1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine?
1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine has a molecular weight of 434.59 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine is sourced from PubChem (CID 141040855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).