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

C19H29ClN3O3+ — CID 9332435

IUPAC(5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH+](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)/p+1/t19-/m0/s1
InChIKeyFLFYQDAMYOKYPZ-IBGZPJMESA-O
MW382.91 g/mol
LogP2.07
Rot. Bonds8

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

(5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium (PubChem CID 9332435) has the molecular formula C19H29ClN3O3+ and a molecular weight of 382.91 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
PubChem CID9332435
Molecular FormulaC19H29ClN3O3+
Molecular Weight382.91 g/mol
Exact Mass382.19
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH+](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)/p+1/t19-/m0/s1
InChIKeyFLFYQDAMYOKYPZ-IBGZPJMESA-O
XLogP2.07
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 9332436
(5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
CID 9332428
(4-chlorophenyl)methyl-[[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9170540
(5-bromo-2-methoxyphenyl)methyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-methylazanium
CID 2575587
(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium
CID 7480340
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42965848
(5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
CID 9332785
(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7180813
N-[1-(3-chlorophenyl)ethyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4825264
benzyl-[[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9169331
(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium
CID 9332981

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium (CID 9332435) is (5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium is COc1ccc(Cl)cc1C[NH+](C)CN1C(=O)N[C@@](C)(CCC(C)C)C1=O.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
The InChIKey is FLFYQDAMYOKYPZ-IBGZPJMESA-O. 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)/p+1/t19-/m0/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium?
(5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium has a molecular weight of 382.91 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium is sourced from PubChem (CID 9332435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).