1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone

C27H38N2Se — CID 102228013

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=[Se]
InChIInChI=1S/C27H38N2Se/c1-17(2)21-11-9-12-22(18(3)4)25(21)28-15-16-29(27(28)30)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20H,15-16H2,1-8H3
InChIKeyXITARVRDTZVPKF-UHFFFAOYSA-N
MW469.58 g/mol
LogP6.76
Rot. Bonds6

About 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone

1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone (PubChem CID 102228013) has the molecular formula C27H38N2Se and a molecular weight of 469.58 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone
PubChem CID102228013
Molecular FormulaC27H38N2Se
Molecular Weight469.58 g/mol
Exact Mass470.22
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=[Se]
InChIInChI=1S/C27H38N2Se/c1-17(2)21-11-9-12-22(18(3)4)25(21)28-15-16-29(27(28)30)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20H,15-16H2,1-8H3
InChIKeyXITARVRDTZVPKF-UHFFFAOYSA-N
XLogP6.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone (CID 102228013) is 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone is CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=[Se].
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone?
The InChIKey is XITARVRDTZVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2Se/c1-17(2)21-11-9-12-22(18(3)4)25(21)28-15-16-29(27(28)30)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20H,15-16H2,1-8H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone?
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone has a molecular weight of 469.58 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone is sourced from PubChem (CID 102228013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).