(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one

C20H18ClF3N4O3 — CID 166705257

IUPAC(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one
SMILESO=C(CC[C@]1(c2ccccn2)NC(O)NC1=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1
InChIInChI=1S/C20H18ClF3N4O3/c21-14-8-12-10-28(9-11(12)7-13(14)20(22,23)24)16(29)4-5-19(15-3-1-2-6-25-15)17(30)26-18(31)27-19/h1-3,6-8,18,27,31H,4-5,9-10H2,(H,26,30)/t18?,19-/m1/s1
InChIKeyOFPUMCBFALJFBP-MUMRKEEXSA-N
MW454.84 g/mol
LogP2.27
Rot. Bonds4

About (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one

(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one (PubChem CID 166705257) has the molecular formula C20H18ClF3N4O3 and a molecular weight of 454.84 g/mol. Its IUPAC name is (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one
PubChem CID166705257
Molecular FormulaC20H18ClF3N4O3
Molecular Weight454.84 g/mol
Exact Mass454.10
IUPAC Name(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one
SMILESO=C(CC[C@]1(c2ccccn2)NC(O)NC1=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1
InChIInChI=1S/C20H18ClF3N4O3/c21-14-8-12-10-28(9-11(12)7-13(14)20(22,23)24)16(29)4-5-19(15-3-1-2-6-25-15)17(30)26-18(31)27-19/h1-3,6-8,18,27,31H,4-5,9-10H2,(H,26,30)/t18?,19-/m1/s1
InChIKeyOFPUMCBFALJFBP-MUMRKEEXSA-N
XLogP2.27
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.84
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one?
The IUPAC name of (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one (CID 166705257) is (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one.
What is the SMILES notation for (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one?
The canonical SMILES for (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one is O=C(CC[C@]1(c2ccccn2)NC(O)NC1=O)N1Cc2cc(Cl)c(C(F)(F)F)cc2C1.
What is the InChIKey of (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one?
The InChIKey is OFPUMCBFALJFBP-MUMRKEEXSA-N. The full InChI is InChI=1S/C20H18ClF3N4O3/c21-14-8-12-10-28(9-11(12)7-13(14)20(22,23)24)16(29)4-5-19(15-3-1-2-6-25-15)17(30)26-18(31)27-19/h1-3,6-8,18,27,31H,4-5,9-10H2,(H,26,30)/t18?,19-/m1/s1.
What are the key properties of (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one?
(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one has a molecular weight of 454.84 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one is sourced from PubChem (CID 166705257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).