(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one

C21H18F2N4O — CID 45114308

IUPAC(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one
SMILESCN1C(=O)[C@@](c2ccncc2)(c2cccc(-c3cc(F)ccc3F)c2)NC1N
InChIInChI=1S/C21H18F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12,20,26H,24H2,1H3/t20?,21-/m1/s1
InChIKeyRIXMCIROVCFIQF-BPGUCPLFSA-N
MW380.40 g/mol
LogP2.57
Rot. Bonds3

About (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one

(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one (PubChem CID 45114308) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one
PubChem CID45114308
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one
SMILESCN1C(=O)[C@@](c2ccncc2)(c2cccc(-c3cc(F)ccc3F)c2)NC1N
InChIInChI=1S/C21H18F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12,20,26H,24H2,1H3/t20?,21-/m1/s1
InChIKeyRIXMCIROVCFIQF-BPGUCPLFSA-N
XLogP2.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 46830239
(2S,5S)-2-amino-5-(1-ethylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one
CID 53346497
[3-[2-amino-4-[3-(5-chloro-2-fluoro-3-pyridinyl)-4-fluorophenyl]-1-methyl-5-oxoimidazolidin-4-yl]phenyl] methanesulfonate
CID 87737761
(5R)-2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazolidin-4-one
CID 56844262
5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-(2-propyl-4-pyridinyl)-4H-imidazol-2-amine
CID 141160077
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
1,4-difluoro-2-(3-iodophenyl)benzene
CID 143253816
(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 59834568
[3-[2-amino-4-(4-fluoro-3-pyridin-3-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] methanesulfonate
CID 24991739
7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
CID 46206293
3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile
CID 147679261
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949

Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one?
The IUPAC name of (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one (CID 45114308) is (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one.
What is the SMILES notation for (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one?
The canonical SMILES for (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one is CN1C(=O)[C@@](c2ccncc2)(c2cccc(-c3cc(F)ccc3F)c2)NC1N.
What is the InChIKey of (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one?
The InChIKey is RIXMCIROVCFIQF-BPGUCPLFSA-N. The full InChI is InChI=1S/C21H18F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12,20,26H,24H2,1H3/t20?,21-/m1/s1.
What are the key properties of (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one?
(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one has a molecular weight of 380.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazolidin-4-one is sourced from PubChem (CID 45114308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).