(4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

C18H17F3N4O4 — CID 166073884

IUPAC(4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1NC(=O)[C@@H]1CNC(=O)N1C
InChIInChI=1S/C18H17F3N4O4/c1-25-13(9-23-17(25)27)16(26)24-12-7-11(4-5-14(12)28-2)29-15-6-3-10(8-22-15)18(19,20)21/h3-8,13H,9H2,1-2H3,(H,23,27)(H,24,26)/t13-/m0/s1
InChIKeyISXOLJFKOWBWIH-ZDUSSCGKSA-N
MW410.35 g/mol
LogP2.86
Rot. Bonds5

About (4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 166073884) has the molecular formula C18H17F3N4O4 and a molecular weight of 410.35 g/mol. Its IUPAC name is (4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID166073884
Molecular FormulaC18H17F3N4O4
Molecular Weight410.35 g/mol
Exact Mass410.12
IUPAC Name(4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1NC(=O)[C@@H]1CNC(=O)N1C
InChIInChI=1S/C18H17F3N4O4/c1-25-13(9-23-17(25)27)16(26)24-12-7-11(4-5-14(12)28-2)29-15-6-3-10(8-22-15)18(19,20)21/h3-8,13H,9H2,1-2H3,(H,23,27)(H,24,26)/t13-/m0/s1
InChIKeyISXOLJFKOWBWIH-ZDUSSCGKSA-N
XLogP2.86
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 166073884) is (4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is COc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1NC(=O)[C@@H]1CNC(=O)N1C.
What is the InChIKey of (4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is ISXOLJFKOWBWIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17F3N4O4/c1-25-13(9-23-17(25)27)16(26)24-12-7-11(4-5-14(12)28-2)29-15-6-3-10(8-22-15)18(19,20)21/h3-8,13H,9H2,1-2H3,(H,23,27)(H,24,26)/t13-/m0/s1.
What are the key properties of (4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 410.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166073884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).