1,3-bis(3-phenylprop-2-ynyl)imidazolidine

C21H20N2 — CID 133188423

IUPAC1,3-bis(3-phenylprop-2-ynyl)imidazolidine
SMILESC(#Cc1ccccc1)CN1CCN(CC#Cc2ccccc2)C1
InChIInChI=1S/C21H20N2/c1-3-9-20(10-4-1)13-7-15-22-17-18-23(19-22)16-8-14-21-11-5-2-6-12-21/h1-6,9-12H,15-19H2
InChIKeyHIURUSRTLOSJEC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.66
Rot. Bonds2

About 1,3-bis(3-phenylprop-2-ynyl)imidazolidine

1,3-bis(3-phenylprop-2-ynyl)imidazolidine (PubChem CID 133188423) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1,3-bis(3-phenylprop-2-ynyl)imidazolidine.

Molecular Properties

Compound Name1,3-bis(3-phenylprop-2-ynyl)imidazolidine
PubChem CID133188423
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name1,3-bis(3-phenylprop-2-ynyl)imidazolidine
SMILESC(#Cc1ccccc1)CN1CCN(CC#Cc2ccccc2)C1
InChIInChI=1S/C21H20N2/c1-3-9-20(10-4-1)13-7-15-22-17-18-23(19-22)16-8-14-21-11-5-2-6-12-21/h1-6,9-12H,15-19H2
InChIKeyHIURUSRTLOSJEC-UHFFFAOYSA-N
XLogP2.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzhydryl-4-(3-phenylprop-2-ynyl)piperazine;hydrochloride
CID 126480014
2-[4-(3-phenylprop-2-ynyl)piperazin-1-yl]butanenitrile
CID 63339568
1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine
CID 142827398
tert-butyl 4-(3-phenylprop-2-ynyl)piperazine-1-carboxylate
CID 67373009
1-(3-phenylprop-2-ynyl)-4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine
CID 3051281
3-phenyl-5-[4-(3-phenylprop-2-ynyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 68528255
(2S,3R)-2,3-dimethyl-1-(3-phenylprop-2-ynyl)piperidine
CID 11021734
13-(5-phenylpenta-2,4-diynyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102019988
1-(3-phenylprop-2-ynyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148622
2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 98587048
hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride
CID 659831
1-[3-(4-methylphenyl)prop-2-ynyl]-4-oxidopiperazine
CID 173100421

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-phenylprop-2-ynyl)imidazolidine?
The IUPAC name of 1,3-bis(3-phenylprop-2-ynyl)imidazolidine (CID 133188423) is 1,3-bis(3-phenylprop-2-ynyl)imidazolidine.
What is the SMILES notation for 1,3-bis(3-phenylprop-2-ynyl)imidazolidine?
The canonical SMILES for 1,3-bis(3-phenylprop-2-ynyl)imidazolidine is C(#Cc1ccccc1)CN1CCN(CC#Cc2ccccc2)C1.
What is the InChIKey of 1,3-bis(3-phenylprop-2-ynyl)imidazolidine?
The InChIKey is HIURUSRTLOSJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-3-9-20(10-4-1)13-7-15-22-17-18-23(19-22)16-8-14-21-11-5-2-6-12-21/h1-6,9-12H,15-19H2.
What are the key properties of 1,3-bis(3-phenylprop-2-ynyl)imidazolidine?
1,3-bis(3-phenylprop-2-ynyl)imidazolidine has a molecular weight of 300.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-phenylprop-2-ynyl)imidazolidine is sourced from PubChem (CID 133188423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).