(4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium

C23H30N3O4+ — CID 9234216

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(C[NH+](C)Cc2cc(OC)c(OC)cc2C)C1=O
InChIInChI=1S/C23H29N3O4/c1-6-23(18-10-8-7-9-11-18)21(27)26(22(28)24-23)15-25(3)14-17-13-20(30-5)19(29-4)12-16(17)2/h7-13H,6,14-15H2,1-5H3,(H,24,28)/p+1/t23-/m0/s1
InChIKeyRBPJJHNFCLABBR-QHCPKHFHSA-O
MW412.51 g/mol
LogP1.84
Rot. Bonds8

About (4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium

(4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium (PubChem CID 9234216) has the molecular formula C23H30N3O4+ and a molecular weight of 412.51 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
PubChem CID9234216
Molecular FormulaC23H30N3O4+
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(C[NH+](C)Cc2cc(OC)c(OC)cc2C)C1=O
InChIInChI=1S/C23H29N3O4/c1-6-23(18-10-8-7-9-11-18)21(27)26(22(28)24-23)15-25(3)14-17-13-20(30-5)19(29-4)12-16(17)2/h7-13H,6,14-15H2,1-5H3,(H,24,28)/p+1/t23-/m0/s1
InChIKeyRBPJJHNFCLABBR-QHCPKHFHSA-O
XLogP1.84
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.84
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-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
CID 9332428
5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 17410774
(2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium
CID 9280017
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179608
methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate
CID 16549652
3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 24576766
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2582592
(5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9280054
(5R)-5-ethyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 42064162
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
5-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 51138980

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium (CID 9234216) is (4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium is CC[C@@]1(c2ccccc2)NC(=O)N(C[NH+](C)Cc2cc(OC)c(OC)cc2C)C1=O.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium?
The InChIKey is RBPJJHNFCLABBR-QHCPKHFHSA-O. The full InChI is InChI=1S/C23H29N3O4/c1-6-23(18-10-8-7-9-11-18)21(27)26(22(28)24-23)15-25(3)14-17-13-20(30-5)19(29-4)12-16(17)2/h7-13H,6,14-15H2,1-5H3,(H,24,28)/p+1/t23-/m0/s1.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium?
(4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium has a molecular weight of 412.51 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium is sourced from PubChem (CID 9234216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).