(5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one

C24H21F2N3O2S — CID 67801610

IUPAC(5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one
SMILESCSC1=N[C@](C)(c2ccc(COc3ccc(F)cc3F)cc2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C24H21F2N3O2S/c1-24(22(30)29(23(27-24)32-2)28-19-6-4-3-5-7-19)17-10-8-16(9-11-17)15-31-21-13-12-18(25)14-20(21)26/h3-14,28H,15H2,1-2H3/t24-/m1/s1
InChIKeyUYHIFNRPSLHJJU-XMMPIXPASA-N
MW453.51 g/mol
LogP5.35
Rot. Bonds6

About (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one

(5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one (PubChem CID 67801610) has the molecular formula C24H21F2N3O2S and a molecular weight of 453.51 g/mol. Its IUPAC name is (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one.

Molecular Properties

Compound Name(5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one
PubChem CID67801610
Molecular FormulaC24H21F2N3O2S
Molecular Weight453.51 g/mol
Exact Mass453.13
IUPAC Name(5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one
SMILESCSC1=N[C@](C)(c2ccc(COc3ccc(F)cc3F)cc2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C24H21F2N3O2S/c1-24(22(30)29(23(27-24)32-2)28-19-6-4-3-5-7-19)17-10-8-16(9-11-17)15-31-21-13-12-18(25)14-20(21)26/h3-14,28H,15H2,1-2H3/t24-/m1/s1
InChIKeyUYHIFNRPSLHJJU-XMMPIXPASA-N
XLogP5.35
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one with MolForge

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Related Compounds

N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
1-[[3-[(2,4-difluorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169384938
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one
CID 68867289
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117407186
4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
CID 112787692
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole
CID 55604203
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
methyl 4-[(2,4-difluorophenoxy)methyl]-2-fluorobenzoate
CID 103749651
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911

Frequently Asked Questions

What is the IUPAC name of (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one?
The IUPAC name of (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one (CID 67801610) is (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one.
What is the SMILES notation for (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one?
The canonical SMILES for (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one is CSC1=N[C@](C)(c2ccc(COc3ccc(F)cc3F)cc2)C(=O)N1Nc1ccccc1.
What is the InChIKey of (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one?
The InChIKey is UYHIFNRPSLHJJU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21F2N3O2S/c1-24(22(30)29(23(27-24)32-2)28-19-6-4-3-5-7-19)17-10-8-16(9-11-17)15-31-21-13-12-18(25)14-20(21)26/h3-14,28H,15H2,1-2H3/t24-/m1/s1.
What are the key properties of (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one?
(5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one has a molecular weight of 453.51 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-anilino-5-[4-[(2,4-difluorophenoxy)methyl]phenyl]-5-methyl-2-methylsulfanylimidazol-4-one is sourced from PubChem (CID 67801610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).