(5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

C19H28ClN3O3 — CID 9332436

IUPAC(5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCOc1ccc(Cl)cc1CN(C)CN1C(=O)N[C@@](C)(CCC(C)C)C1=O
InChIInChI=1S/C19H28ClN3O3/c1-13(2)8-9-19(3)17(24)23(18(25)21-19)12-22(4)11-14-10-15(20)6-7-16(14)26-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,21,25)/t19-/m0/s1
InChIKeyFLFYQDAMYOKYPZ-IBGZPJMESA-N
MW381.90 g/mol
LogP3.48
Rot. Bonds8

About (5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

(5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 9332436) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is (5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
PubChem CID9332436
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name(5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCOc1ccc(Cl)cc1CN(C)CN1C(=O)N[C@@](C)(CCC(C)C)C1=O
InChIInChI=1S/C19H28ClN3O3/c1-13(2)8-9-19(3)17(24)23(18(25)21-19)12-22(4)11-14-10-15(20)6-7-16(14)26-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,21,25)/t19-/m0/s1
InChIKeyFLFYQDAMYOKYPZ-IBGZPJMESA-N
XLogP3.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9332435
3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9332388
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62592250
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9010849
(5S)-3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 9172017
(5S)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 9170689
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
1-[(5-chloro-2-methoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107828
N-[1-(3-chlorophenyl)ethyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4825264
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
CID 87018425
(5R,9R)-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51673238

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (CID 9332436) is (5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is COc1ccc(Cl)cc1CN(C)CN1C(=O)N[C@@](C)(CCC(C)C)C1=O.
What is the InChIKey of (5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is FLFYQDAMYOKYPZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28ClN3O3/c1-13(2)8-9-19(3)17(24)23(18(25)21-19)12-22(4)11-14-10-15(20)6-7-16(14)26-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,21,25)/t19-/m0/s1.
What are the key properties of (5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
(5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 381.90 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9332436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).