2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine

C27H27F5N2 — CID 11260029

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2c2c(F)c(F)c(F)c(F)c2F)c(C)c1
InChIInChI=1S/C27H27F5N2/c1-13-9-15(3)25(16(4)10-13)33-7-8-34(26-17(5)11-14(2)12-18(26)6)27(33)19-20(28)22(30)24(32)23(31)21(19)29/h9-12,27H,7-8H2,1-6H3
InChIKeyHSIQYZZZKQLXLK-UHFFFAOYSA-N
MW474.52 g/mol
LogP7.26
Rot. Bonds3

About 2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine

2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (PubChem CID 11260029) has the molecular formula C27H27F5N2 and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
PubChem CID11260029
Molecular FormulaC27H27F5N2
Molecular Weight474.52 g/mol
Exact Mass474.21
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2c2c(F)c(F)c(F)c(F)c2F)c(C)c1
InChIInChI=1S/C27H27F5N2/c1-13-9-15(3)25(16(4)10-13)33-7-8-34(26-17(5)11-14(2)12-18(26)6)27(33)19-20(28)22(30)24(32)23(31)21(19)29/h9-12,27H,7-8H2,1-6H3
InChIKeyHSIQYZZZKQLXLK-UHFFFAOYSA-N
XLogP7.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (CID 11260029) is 2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2c2c(F)c(F)c(F)c(F)c2F)c(C)c1.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The InChIKey is HSIQYZZZKQLXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F5N2/c1-13-9-15(3)25(16(4)10-13)33-7-8-34(26-17(5)11-14(2)12-18(26)6)27(33)19-20(28)22(30)24(32)23(31)21(19)29/h9-12,27H,7-8H2,1-6H3.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine has a molecular weight of 474.52 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is sourced from PubChem (CID 11260029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).