(4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one

C19H24F3N3O2 — CID 156823135

IUPAC(4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one
SMILESCC(C[C@]1(C2CC2)CNC(=O)N1)C(O)N1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C19H24F3N3O2/c1-11(7-18(14-4-5-14)10-23-17(27)24-18)16(26)25-8-12-2-3-15(19(20,21)22)6-13(12)9-25/h2-3,6,11,14,16,26H,4-5,7-10H2,1H3,(H2,23,24,27)/t11?,16?,18-/m1/s1
InChIKeyXMSUBKDRVSNWBO-GBDUZWOGSA-N
MW383.41 g/mol
LogP2.83
Rot. Bonds5

About (4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one

(4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one (PubChem CID 156823135) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is (4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one
PubChem CID156823135
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name(4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one
SMILESCC(C[C@]1(C2CC2)CNC(=O)N1)C(O)N1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C19H24F3N3O2/c1-11(7-18(14-4-5-14)10-23-17(27)24-18)16(26)25-8-12-2-3-15(19(20,21)22)6-13(12)9-25/h2-3,6,11,14,16,26H,4-5,7-10H2,1H3,(H2,23,24,27)/t11?,16?,18-/m1/s1
InChIKeyXMSUBKDRVSNWBO-GBDUZWOGSA-N
XLogP2.83
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one?
The IUPAC name of (4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one (CID 156823135) is (4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one is CC(C[C@]1(C2CC2)CNC(=O)N1)C(O)N1Cc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of (4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one?
The InChIKey is XMSUBKDRVSNWBO-GBDUZWOGSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-11(7-18(14-4-5-14)10-23-17(27)24-18)16(26)25-8-12-2-3-15(19(20,21)22)6-13(12)9-25/h2-3,6,11,14,16,26H,4-5,7-10H2,1H3,(H2,23,24,27)/t11?,16?,18-/m1/s1.
What are the key properties of (4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one?
(4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one has a molecular weight of 383.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one is sourced from PubChem (CID 156823135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).