(5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium

C19H23ClN3O3S+ — CID 9171444

IUPAC(5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
SMILESCC[NH+](Cc1ccc(Cl)s1)CN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O
InChIInChI=1S/C19H22ClN3O3S/c1-4-22(11-15-8-9-16(20)27-15)12-23-17(24)19(2,21-18(23)25)13-6-5-7-14(10-13)26-3/h5-10H,4,11-12H2,1-3H3,(H,21,25)/p+1/t19-/m0/s1
InChIKeyQZEFZWXEOCHCDL-IBGZPJMESA-O
MW408.93 g/mol
LogP2.24
Rot. Bonds7

About (5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium

(5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium (PubChem CID 9171444) has the molecular formula C19H23ClN3O3S+ and a molecular weight of 408.93 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
PubChem CID9171444
Molecular FormulaC19H23ClN3O3S+
Molecular Weight408.93 g/mol
Exact Mass408.11
IUPAC Name(5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
SMILESCC[NH+](Cc1ccc(Cl)s1)CN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O
InChIInChI=1S/C19H22ClN3O3S/c1-4-22(11-15-8-9-16(20)27-15)12-23-17(24)19(2,21-18(23)25)13-6-5-7-14(10-13)26-3/h5-10H,4,11-12H2,1-3H3,(H,21,25)/p+1/t19-/m0/s1
InChIKeyQZEFZWXEOCHCDL-IBGZPJMESA-O
XLogP2.24
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5-chlorothiophen-2-yl)methyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-prop-2-enylazanium
CID 9172092
(5S)-3-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9171445
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42942253
cyclopropyl-[(4-methoxyphenyl)methyl]-[[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9281572
(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31565993
cyclopropyl-[(4-fluorophenyl)methyl]-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9285682
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 94081397
[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9317543
(5-chlorothiophen-2-yl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-prop-2-enylazanium
CID 9172087
(5S)-3-[(2-ethoxyphenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 8010720
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 47556168
(5R)-3-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41096881

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium (CID 9171444) is (5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium is CC[NH+](Cc1ccc(Cl)s1)CN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The InChIKey is QZEFZWXEOCHCDL-IBGZPJMESA-O. The full InChI is InChI=1S/C19H22ClN3O3S/c1-4-22(11-15-8-9-16(20)27-15)12-23-17(24)19(2,21-18(23)25)13-6-5-7-14(10-13)26-3/h5-10H,4,11-12H2,1-3H3,(H,21,25)/p+1/t19-/m0/s1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
(5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium has a molecular weight of 408.93 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium is sourced from PubChem (CID 9171444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).