(4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one

C22H22ClN5O4S — CID 59485758

IUPAC(4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one
SMILESCS(=O)(=O)CCN1C[C@H](c2cccc(Oc3cnc(N)cn3)c2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H22ClN5O4S/c1-33(30,31)10-9-27-14-19(28(22(27)29)17-7-5-16(23)6-8-17)15-3-2-4-18(11-15)32-21-13-25-20(24)12-26-21/h2-8,11-13,19H,9-10,14H2,1H3,(H2,24,25)/t19-/m1/s1
InChIKeyBKSRIQRIJNRIFH-LJQANCHMSA-N
MW487.97 g/mol
LogP3.53
Rot. Bonds7

About (4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one

(4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one (PubChem CID 59485758) has the molecular formula C22H22ClN5O4S and a molecular weight of 487.97 g/mol. Its IUPAC name is (4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one
PubChem CID59485758
Molecular FormulaC22H22ClN5O4S
Molecular Weight487.97 g/mol
Exact Mass487.11
IUPAC Name(4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one
SMILESCS(=O)(=O)CCN1C[C@H](c2cccc(Oc3cnc(N)cn3)c2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H22ClN5O4S/c1-33(30,31)10-9-27-14-19(28(22(27)29)17-7-5-16(23)6-8-17)15-3-2-4-18(11-15)32-21-13-25-20(24)12-26-21/h2-8,11-13,19H,9-10,14H2,1H3,(H2,24,25)/t19-/m1/s1
InChIKeyBKSRIQRIJNRIFH-LJQANCHMSA-N
XLogP3.53
TPSA118.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one (CID 59485758) is (4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one is CS(=O)(=O)CCN1C[C@H](c2cccc(Oc3cnc(N)cn3)c2)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The InChIKey is BKSRIQRIJNRIFH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22ClN5O4S/c1-33(30,31)10-9-27-14-19(28(22(27)29)17-7-5-16(23)6-8-17)15-3-2-4-18(11-15)32-21-13-25-20(24)12-26-21/h2-8,11-13,19H,9-10,14H2,1H3,(H2,24,25)/t19-/m1/s1.
What are the key properties of (4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one?
(4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one has a molecular weight of 487.97 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(5-aminopyrazin-2-yl)oxyphenyl]-3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)imidazolidin-2-one is sourced from PubChem (CID 59485758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).