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

C23H26F4N2 — CID 132850287

IUPAC2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=C(F)C(F)(F)F)c(C)c1
InChIInChI=1S/C23H26F4N2/c1-13-9-15(3)19(16(4)10-13)28-7-8-29(22(28)21(24)23(25,26)27)20-17(5)11-14(2)12-18(20)6/h9-12H,7-8H2,1-6H3
InChIKeyWLQCEDVBCTWNGY-UHFFFAOYSA-N
MW406.47 g/mol
LogP6.56
Rot. Bonds2

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

2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (PubChem CID 132850287) has the molecular formula C23H26F4N2 and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.

Molecular Properties

Compound Name2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
PubChem CID132850287
Molecular FormulaC23H26F4N2
Molecular Weight406.47 g/mol
Exact Mass406.20
IUPAC Name2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=C(F)C(F)(F)F)c(C)c1
InChIInChI=1S/C23H26F4N2/c1-13-9-15(3)19(16(4)10-13)28-7-8-29(22(28)21(24)23(25,26)27)20-17(5)11-14(2)12-18(20)6/h9-12H,7-8H2,1-6H3
InChIKeyWLQCEDVBCTWNGY-UHFFFAOYSA-N
XLogP6.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-tricyclohexyl-λ5-phosphane
CID 87699138
1-(2,4,6-trimethylphenyl)piperidine-2,3-dione
CID 117013765
2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 11774625
2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 138636909
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
CID 101475276
CID 101475276
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-amine
CID 102142824
4-tert-butyl-3-(2,4,6-trimethylphenyl)-1,2-dihydroimidazole
CID 173283269
4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride
CID 173073213
3,5-dimethyl-2-piperidin-1-ylaniline
CID 30029941
1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine
CID 171926239
1-[3-[4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-5-(trifluoromethyl)phenyl]-5,6-dimethyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 164730615

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The IUPAC name of 2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (CID 132850287) is 2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.
What is the SMILES notation for 2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The canonical SMILES for 2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=C(F)C(F)(F)F)c(C)c1.
What is the InChIKey of 2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The InChIKey is WLQCEDVBCTWNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N2/c1-13-9-15(3)19(16(4)10-13)28-7-8-29(22(28)21(24)23(25,26)27)20-17(5)11-14(2)12-18(20)6/h9-12H,7-8H2,1-6H3.
What are the key properties of 2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine has a molecular weight of 406.47 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is sourced from PubChem (CID 132850287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).