4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline

C25H29N3 — CID 1039682

IUPAC4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C25H29N3/c1-26(2)24-15-13-23(14-16-24)25-27(19-21-9-5-3-6-10-21)17-18-28(25)20-22-11-7-4-8-12-22/h3-16,25H,17-20H2,1-2H3
InChIKeyPPLTZSDLFYPWIJ-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.77
Rot. Bonds6

About 4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline

4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline (PubChem CID 1039682) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline
PubChem CID1039682
Molecular FormulaC25H29N3
Molecular Weight371.53 g/mol
Exact Mass371.24
IUPAC Name4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C25H29N3/c1-26(2)24-15-13-23(14-16-24)25-27(19-21-9-5-3-6-10-21)17-18-28(25)20-22-11-7-4-8-12-22/h3-16,25H,17-20H2,1-2H3
InChIKeyPPLTZSDLFYPWIJ-UHFFFAOYSA-N
XLogP4.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline (CID 1039682) is 4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of 4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline?
The InChIKey is PPLTZSDLFYPWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3/c1-26(2)24-15-13-23(14-16-24)25-27(19-21-9-5-3-6-10-21)17-18-28(25)20-22-11-7-4-8-12-22/h3-16,25H,17-20H2,1-2H3.
What are the key properties of 4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline?
4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline has a molecular weight of 371.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dibenzylimidazolidin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 1039682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).