(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole

C22H20ClFN4O3S — CID 70852468

IUPAC(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole
SMILESNS(=O)(=O)NC1=NC[C@H](c2cccc(CF)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClFN4O3S/c23-17-4-8-19(9-5-17)31-20-10-6-18(7-11-20)28-21(14-26-22(28)27-32(25,29)30)16-3-1-2-15(12-16)13-24/h1-12,21H,13-14H2,(H,26,27)(H2,25,29,30)/t21-/m1/s1
InChIKeyRUPJOUFDDYMZJU-OAQYLSRUSA-N
MW474.95 g/mol
LogP4.31
Rot. Bonds6

About (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole

(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole (PubChem CID 70852468) has the molecular formula C22H20ClFN4O3S and a molecular weight of 474.95 g/mol. Its IUPAC name is (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole.

Molecular Properties

Compound Name(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole
PubChem CID70852468
Molecular FormulaC22H20ClFN4O3S
Molecular Weight474.95 g/mol
Exact Mass474.09
IUPAC Name(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole
SMILESNS(=O)(=O)NC1=NC[C@H](c2cccc(CF)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClFN4O3S/c23-17-4-8-19(9-5-17)31-20-10-6-18(7-11-20)28-21(14-26-22(28)27-32(25,29)30)16-3-1-2-15(12-16)13-24/h1-12,21H,13-14H2,(H,26,27)(H2,25,29,30)/t21-/m1/s1
InChIKeyRUPJOUFDDYMZJU-OAQYLSRUSA-N
XLogP4.31
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenoxy)phenyl]-2-(sulfinamoylamino)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 143702874
N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide
CID 59486057
2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine
CID 68702629
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one
CID 71091242
1-[4-(4-chlorophenoxy)phenyl]-5-(3-hydroxyphenyl)imidazolidin-2-one
CID 68705132
3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485762
3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one
CID 87722066
(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 59485641
3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one
CID 87722351
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485739

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole?
The IUPAC name of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole (CID 70852468) is (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole.
What is the SMILES notation for (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole?
The canonical SMILES for (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole is NS(=O)(=O)NC1=NC[C@H](c2cccc(CF)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole?
The InChIKey is RUPJOUFDDYMZJU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20ClFN4O3S/c23-17-4-8-19(9-5-17)31-20-10-6-18(7-11-20)28-21(14-26-22(28)27-32(25,29)30)16-3-1-2-15(12-16)13-24/h1-12,21H,13-14H2,(H,26,27)(H2,25,29,30)/t21-/m1/s1.
What are the key properties of (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole?
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole has a molecular weight of 474.95 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole is sourced from PubChem (CID 70852468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).