4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline

C21H25N3S2 — CID 11760772

IUPAC4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2N(Cc3cccs3)CCN2Cc2cccs2)cc1
InChIInChI=1S/C21H25N3S2/c1-22(2)18-9-7-17(8-10-18)21-23(15-19-5-3-13-25-19)11-12-24(21)16-20-6-4-14-26-20/h3-10,13-14,21H,11-12,15-16H2,1-2H3
InChIKeyRSLYTFOSKIHTHD-UHFFFAOYSA-N
MW383.59 g/mol
LogP4.89
Rot. Bonds6

About 4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline

4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline (PubChem CID 11760772) has the molecular formula C21H25N3S2 and a molecular weight of 383.59 g/mol. Its IUPAC name is 4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline
PubChem CID11760772
Molecular FormulaC21H25N3S2
Molecular Weight383.59 g/mol
Exact Mass383.15
IUPAC Name4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2N(Cc3cccs3)CCN2Cc2cccs2)cc1
InChIInChI=1S/C21H25N3S2/c1-22(2)18-9-7-17(8-10-18)21-23(15-19-5-3-13-25-19)11-12-24(21)16-20-6-4-14-26-20/h3-10,13-14,21H,11-12,15-16H2,1-2H3
InChIKeyRSLYTFOSKIHTHD-UHFFFAOYSA-N
XLogP4.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.59
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline (CID 11760772) is 4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(C2N(Cc3cccs3)CCN2Cc2cccs2)cc1.
What is the InChIKey of 4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline?
The InChIKey is RSLYTFOSKIHTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3S2/c1-22(2)18-9-7-17(8-10-18)21-23(15-19-5-3-13-25-19)11-12-24(21)16-20-6-4-14-26-20/h3-10,13-14,21H,11-12,15-16H2,1-2H3.
What are the key properties of 4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline?
4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline has a molecular weight of 383.59 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-bis(thiophen-2-ylmethyl)imidazolidin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 11760772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).