N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide

C20H18ClN5O3S — CID 59486057

IUPACN-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1=NC[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN5O3S/c1-30(27,28)25-20-24-12-18(26(20)16-7-5-15(21)6-8-16)14-3-2-4-17(11-14)29-19-13-22-9-10-23-19/h2-11,13,18H,12H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyGAKNEIBKVAQPKM-GOSISDBHSA-N
MW443.92 g/mol
LogP3.39
Rot. Bonds5

About N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide

N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide (PubChem CID 59486057) has the molecular formula C20H18ClN5O3S and a molecular weight of 443.92 g/mol. Its IUPAC name is N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide
PubChem CID59486057
Molecular FormulaC20H18ClN5O3S
Molecular Weight443.92 g/mol
Exact Mass443.08
IUPAC NameN-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1=NC[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN5O3S/c1-30(27,28)25-20-24-12-18(26(20)16-7-5-15(21)6-8-16)14-3-2-4-17(11-14)29-19-13-22-9-10-23-19/h2-11,13,18H,12H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyGAKNEIBKVAQPKM-GOSISDBHSA-N
XLogP3.39
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.92
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine
CID 68702629
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485739
3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 87671627
(4S)-3-[4-(4-chlorophenoxy)phenyl]-1-(2-methylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485933
(4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59486010
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole
CID 70852468
3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-2-yloxyphenyl)imidazolidin-2-one
CID 59485876
(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
CID 59486046
1-[4-(4-chlorophenoxy)phenyl]-2-(sulfinamoylamino)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 143702874
1-[3-(4-chlorophenyl)pyrazin-2-yl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 69044128
(4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485903
2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 68704435

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide?
The IUPAC name of N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide (CID 59486057) is N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide is CS(=O)(=O)NC1=NC[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide?
The InChIKey is GAKNEIBKVAQPKM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18ClN5O3S/c1-30(27,28)25-20-24-12-18(26(20)16-7-5-15(21)6-8-16)14-3-2-4-17(11-14)29-19-13-22-9-10-23-19/h2-11,13,18H,12H2,1H3,(H,24,25)/t18-/m1/s1.
What are the key properties of N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide?
N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide has a molecular weight of 443.92 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide is sourced from PubChem (CID 59486057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).