N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine

C25H31N3 — CID 168820008

IUPACN-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine
SMILESCC(C)(C)N=C1N(C/C=C/c2ccccc2)CCN1C/C=C/c1ccccc1
InChIInChI=1S/C25H31N3/c1-25(2,3)26-24-27(18-10-16-22-12-6-4-7-13-22)20-21-28(24)19-11-17-23-14-8-5-9-15-23/h4-17H,18-21H2,1-3H3/b16-10+,17-11+
InChIKeyAOAGXTDNPRUYAC-OTYYAQKOSA-N
MW373.54 g/mol
LogP5.19
Rot. Bonds6

About N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine

N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine (PubChem CID 168820008) has the molecular formula C25H31N3 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine.

Molecular Properties

Compound NameN-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine
PubChem CID168820008
Molecular FormulaC25H31N3
Molecular Weight373.54 g/mol
Exact Mass373.25
IUPAC NameN-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine
SMILESCC(C)(C)N=C1N(C/C=C/c2ccccc2)CCN1C/C=C/c1ccccc1
InChIInChI=1S/C25H31N3/c1-25(2,3)26-24-27(18-10-16-22-12-6-4-7-13-22)20-21-28(24)19-11-17-23-14-8-5-9-15-23/h4-17H,18-21H2,1-3H3/b16-10+,17-11+
InChIKeyAOAGXTDNPRUYAC-OTYYAQKOSA-N
XLogP5.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 10867670
2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
CID 4021995
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
2-tert-butyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17000384
1-(3-phenylprop-2-enyl)-2,3-dihydroquinolin-4-one
CID 77033480
(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 95322641
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole
CID 141320299
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295
[(E)-4-isocyano-4-methylpent-1-enyl]benzene
CID 58555273
1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
benzene;but-1-enylbenzene
CID 157481332

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine?
The IUPAC name of N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine (CID 168820008) is N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine.
What is the SMILES notation for N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine?
The canonical SMILES for N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine is CC(C)(C)N=C1N(C/C=C/c2ccccc2)CCN1C/C=C/c1ccccc1.
What is the InChIKey of N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine?
The InChIKey is AOAGXTDNPRUYAC-OTYYAQKOSA-N. The full InChI is InChI=1S/C25H31N3/c1-25(2,3)26-24-27(18-10-16-22-12-6-4-7-13-22)20-21-28(24)19-11-17-23-14-8-5-9-15-23/h4-17H,18-21H2,1-3H3/b16-10+,17-11+.
What are the key properties of N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine?
N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine has a molecular weight of 373.54 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-bis[(E)-3-phenylprop-2-enyl]imidazolidin-2-imine is sourced from PubChem (CID 168820008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).