(4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one

C19H19ClFN3O3 — CID 163611458

IUPAC(4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one
SMILESCc1ccc(OCC(CC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C19H19ClFN3O3/c1-11-2-4-14(8-22-11)27-10-13(12-3-5-16(21)15(20)6-12)7-18(25)17-9-23-19(26)24-17/h2-6,8,13,17H,7,9-10H2,1H3,(H2,23,24,26)/t13?,17-/m0/s1
InChIKeyHGHIAVALXVJQDL-RUINGEJQSA-N
MW391.83 g/mol
LogP2.99
Rot. Bonds7

About (4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one

(4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one (PubChem CID 163611458) has the molecular formula C19H19ClFN3O3 and a molecular weight of 391.83 g/mol. Its IUPAC name is (4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one
PubChem CID163611458
Molecular FormulaC19H19ClFN3O3
Molecular Weight391.83 g/mol
Exact Mass391.11
IUPAC Name(4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one
SMILESCc1ccc(OCC(CC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C19H19ClFN3O3/c1-11-2-4-14(8-22-11)27-10-13(12-3-5-16(21)15(20)6-12)7-18(25)17-9-23-19(26)24-17/h2-6,8,13,17H,7,9-10H2,1H3,(H2,23,24,26)/t13?,17-/m0/s1
InChIKeyHGHIAVALXVJQDL-RUINGEJQSA-N
XLogP2.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one?
The IUPAC name of (4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one (CID 163611458) is (4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one is Cc1ccc(OCC(CC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of (4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one?
The InChIKey is HGHIAVALXVJQDL-RUINGEJQSA-N. The full InChI is InChI=1S/C19H19ClFN3O3/c1-11-2-4-14(8-22-11)27-10-13(12-3-5-16(21)15(20)6-12)7-18(25)17-9-23-19(26)24-17/h2-6,8,13,17H,7,9-10H2,1H3,(H2,23,24,26)/t13?,17-/m0/s1.
What are the key properties of (4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one?
(4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one has a molecular weight of 391.83 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one is sourced from PubChem (CID 163611458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).