5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C24H21ClF3N3O2 — CID 69047570

IUPAC5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESNCCC1(c2cccc(C(F)(F)F)c2)CNC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClF3N3O2/c25-18-4-8-20(9-5-18)33-21-10-6-19(7-11-21)31-22(32)30-15-23(31,12-13-29)16-2-1-3-17(14-16)24(26,27)28/h1-11,14H,12-13,15,29H2,(H,30,32)
InChIKeyNPTULWBRLDNGDQ-UHFFFAOYSA-N
MW475.90 g/mol
LogP5.93
Rot. Bonds6

About 5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 69047570) has the molecular formula C24H21ClF3N3O2 and a molecular weight of 475.90 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID69047570
Molecular FormulaC24H21ClF3N3O2
Molecular Weight475.90 g/mol
Exact Mass475.13
IUPAC Name5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESNCCC1(c2cccc(C(F)(F)F)c2)CNC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClF3N3O2/c25-18-4-8-20(9-5-18)33-21-10-6-19(7-11-21)31-22(32)30-15-23(31,12-13-29)16-2-1-3-17(14-16)24(26,27)28/h1-11,14H,12-13,15,29H2,(H,30,32)
InChIKeyNPTULWBRLDNGDQ-UHFFFAOYSA-N
XLogP5.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.90
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69048226
2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 87721643
(5S)-1-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69044445
(5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 69048222
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine
CID 143702816
1-[4-(4-chlorophenoxy)phenyl]-2-(sulfinamoylamino)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 143702874
1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine
CID 89265398
1-methyl-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]imidazol-2-one
CID 13020007
3-[[3-[4-(4-chlorophenoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]pyridine
CID 141210072

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 69047570) is 5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is NCCC1(c2cccc(C(F)(F)F)c2)CNC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is NPTULWBRLDNGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O2/c25-18-4-8-20(9-5-18)33-21-10-6-19(7-11-21)31-22(32)30-15-23(31,12-13-29)16-2-1-3-17(14-16)24(26,27)28/h1-11,14H,12-13,15,29H2,(H,30,32).
What are the key properties of 5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 475.90 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 69047570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).