(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C23H19F3N4O2 — CID 71241955

IUPAC(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H19F3N4O2/c1-12(15-10-21(31)28-11-15)32-20-9-14(8-18-16(20)3-2-6-27-18)13-4-5-17-19(7-13)30-22(29-17)23(24,25)26/h2-9,12,15H,10-11H2,1H3,(H,28,31)(H,29,30)/t12-,15-/m1/s1
InChIKeyQFWHGZUTPMRNHI-IUODEOHRSA-N
MW440.43 g/mol
LogP4.70
Rot. Bonds4

About (4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241955) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241955
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H19F3N4O2/c1-12(15-10-21(31)28-11-15)32-20-9-14(8-18-16(20)3-2-6-27-18)13-4-5-17-19(7-13)30-22(29-17)23(24,25)26/h2-9,12,15H,10-11H2,1H3,(H,28,31)(H,29,30)/t12-,15-/m1/s1
InChIKeyQFWHGZUTPMRNHI-IUODEOHRSA-N
XLogP4.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241955) is (4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is QFWHGZUTPMRNHI-IUODEOHRSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-12(15-10-21(31)28-11-15)32-20-9-14(8-18-16(20)3-2-6-27-18)13-4-5-17-19(7-13)30-22(29-17)23(24,25)26/h2-9,12,15H,10-11H2,1H3,(H,28,31)(H,29,30)/t12-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 440.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).