acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine

C25H21ClF3N3O — CID 143702816

IUPACacetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine
SMILESC=C1NCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.CC#N
InChIInChI=1S/C23H18ClF3N2O.C2H3N/c1-15-28-14-22(16-3-2-4-17(13-16)23(25,26)27)29(15)19-7-11-21(12-8-19)30-20-9-5-18(24)6-10-20;1-2-3/h2-13,22,28H,1,14H2;1H3
InChIKeyLREIYBNNZOLETI-UHFFFAOYSA-N
MW471.91 g/mol
LogP7.30
Rot. Bonds4

About acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine

acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine (PubChem CID 143702816) has the molecular formula C25H21ClF3N3O and a molecular weight of 471.91 g/mol. Its IUPAC name is acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine.

Molecular Properties

Compound Nameacetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine
PubChem CID143702816
Molecular FormulaC25H21ClF3N3O
Molecular Weight471.91 g/mol
Exact Mass471.13
IUPAC Nameacetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine
SMILESC=C1NCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.CC#N
InChIInChI=1S/C23H18ClF3N2O.C2H3N/c1-15-28-14-22(16-3-2-4-17(13-16)23(25,26)27)29(15)19-7-11-21(12-8-19)30-20-9-5-18(24)6-10-20;1-2-3/h2-13,22,28H,1,14H2;1H3
InChIKeyLREIYBNNZOLETI-UHFFFAOYSA-N
XLogP7.30
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.91
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione
CID 89033385
1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine
CID 89265398
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one
CID 71091242
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752
1-[4-(4-chlorophenoxy)phenyl]-5-(3-hydroxyphenyl)imidazolidin-2-one
CID 68705132
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
1-[4-(4-chlorophenoxy)phenyl]-2-(sulfinamoylamino)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 143702874
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
[[3-[4-(4-chlorophenoxy)phenyl]-1-(2-morpholin-4-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-yl]-ethyl-λ3-iodanyl]formonitrile
CID 143702873
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705698
(4S)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 59485882
ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 143702740

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine?
The IUPAC name of acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine (CID 143702816) is acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine.
What is the SMILES notation for acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine?
The canonical SMILES for acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine is C=C1NCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.CC#N.
What is the InChIKey of acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine?
The InChIKey is LREIYBNNZOLETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N2O.C2H3N/c1-15-28-14-22(16-3-2-4-17(13-16)23(25,26)27)29(15)19-7-11-21(12-8-19)30-20-9-5-18(24)6-10-20;1-2-3/h2-13,22,28H,1,14H2;1H3.
What are the key properties of acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine?
acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine has a molecular weight of 471.91 g/mol, XLogP of 7.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine is sourced from PubChem (CID 143702816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).