N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine

C18H21N3 — CID 139018375

IUPACN-benzyl-1-ethyl-4-phenylimidazolidin-2-imine
SMILESCCN1CC(c2ccccc2)N/C1=N/Cc1ccccc1
InChIInChI=1S/C18H21N3/c1-2-21-14-17(16-11-7-4-8-12-16)20-18(21)19-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,19,20)
InChIKeyXZUZYOYOLZUJQG-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.21
Rot. Bonds4

About N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine

N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine (PubChem CID 139018375) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine.

Molecular Properties

Compound NameN-benzyl-1-ethyl-4-phenylimidazolidin-2-imine
PubChem CID139018375
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-benzyl-1-ethyl-4-phenylimidazolidin-2-imine
SMILESCCN1CC(c2ccccc2)N/C1=N/Cc1ccccc1
InChIInChI=1S/C18H21N3/c1-2-21-14-17(16-11-7-4-8-12-16)20-18(21)19-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,19,20)
InChIKeyXZUZYOYOLZUJQG-UHFFFAOYSA-N
XLogP3.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine?
The IUPAC name of N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine (CID 139018375) is N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine.
What is the SMILES notation for N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine?
The canonical SMILES for N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine is CCN1CC(c2ccccc2)N/C1=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine?
The InChIKey is XZUZYOYOLZUJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-21-14-17(16-11-7-4-8-12-16)20-18(21)19-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,19,20).
What are the key properties of N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine?
N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine has a molecular weight of 279.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethyl-4-phenylimidazolidin-2-imine is sourced from PubChem (CID 139018375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).