(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

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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).