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

C29H39F3N2 — CID 132850291

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=C(F)C(F)F
InChIInChI=1S/C29H39F3N2/c1-17(2)21-11-9-12-22(18(3)4)26(21)33-15-16-34(29(33)25(30)28(31)32)27-23(19(5)6)13-10-14-24(27)20(7)8/h9-14,17-20,28H,15-16H2,1-8H3
InChIKeyVOTSNEDBEXGJPO-UHFFFAOYSA-N
MW472.64 g/mol
LogP8.91
Rot. Bonds7

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

1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine (PubChem CID 132850291) has the molecular formula C29H39F3N2 and a molecular weight of 472.64 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine
PubChem CID132850291
Molecular FormulaC29H39F3N2
Molecular Weight472.64 g/mol
Exact Mass472.31
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=C(F)C(F)F
InChIInChI=1S/C29H39F3N2/c1-17(2)21-11-9-12-22(18(3)4)26(21)33-15-16-34(29(33)25(30)28(31)32)27-23(19(5)6)13-10-14-24(27)20(7)8/h9-14,17-20,28H,15-16H2,1-8H3
InChIKeyVOTSNEDBEXGJPO-UHFFFAOYSA-N
XLogP8.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.64
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine (CID 132850291) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine is CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=C(F)C(F)F.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine?
The InChIKey is VOTSNEDBEXGJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39F3N2/c1-17(2)21-11-9-12-22(18(3)4)26(21)33-15-16-34(29(33)25(30)28(31)32)27-23(19(5)6)13-10-14-24(27)20(7)8/h9-14,17-20,28H,15-16H2,1-8H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine?
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(1,2,2-trifluoroethylidene)imidazolidine has a molecular weight of 472.64 g/mol, XLogP of 8.91, 7 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]-2-(1,2,2-trifluoroethylidene)imidazolidine is sourced from PubChem (CID 132850291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).