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'}

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Related Compounds

1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine
CID 132850291
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaborolidine
CID 102596424
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
CID 71560960
CID 71560960
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine
CID 129027447
2-bromo-1,3-bis[2,6-di(propan-2-yl)phenyl]-5,6-dihydro-4H-pyrimidin-1-ium
CID 139156378
1-[2,6-di(propan-2-yl)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708084
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-disulfido-1,3,2,4-diazadiphosphetidine-2,4-diium
CID 122202965

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).