1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide

C16H24IN5O5 — CID 111827798

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
SMILESC/N=C(\NCCN1C(=O)CNC1=O)Nc1cc(OC)c(OC)c(OC)c1.I
InChIInChI=1S/C16H23N5O5.HI/c1-17-15(18-5-6-21-13(22)9-19-16(21)23)20-10-7-11(24-2)14(26-4)12(8-10)25-3;/h7-8H,5-6,9H2,1-4H3,(H,19,23)(H2,17,18,20);1H
InChIKeyXOOKADRHQSNMJR-UHFFFAOYSA-N
MW493.30 g/mol
LogP0.87
Rot. Bonds7

About 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide (PubChem CID 111827798) has the molecular formula C16H24IN5O5 and a molecular weight of 493.30 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
PubChem CID111827798
Molecular FormulaC16H24IN5O5
Molecular Weight493.30 g/mol
Exact Mass493.08
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
SMILESC/N=C(\NCCN1C(=O)CNC1=O)Nc1cc(OC)c(OC)c(OC)c1.I
InChIInChI=1S/C16H23N5O5.HI/c1-17-15(18-5-6-21-13(22)9-19-16(21)23)20-10-7-11(24-2)14(26-4)12(8-10)25-3;/h7-8H,5-6,9H2,1-4H3,(H,19,23)(H2,17,18,20);1H
InChIKeyXOOKADRHQSNMJR-UHFFFAOYSA-N
XLogP0.87
TPSA113.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 109413830
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111828318
1-(2-cyclopropylethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111792516
1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111123536
N-cyclopropyl-4-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]butanamide
CID 111146206
N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide
CID 111146228
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111831627
1-(2-benzylsulfinylethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine
CID 111761191
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine
CID 109391496
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[3-(N-ethylanilino)propyl]-2-methylguanidine;hydroiodide
CID 111831859
N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111827834
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119148599

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide (CID 111827798) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide is C/N=C(\NCCN1C(=O)CNC1=O)Nc1cc(OC)c(OC)c(OC)c1.I.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide?
The InChIKey is XOOKADRHQSNMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O5.HI/c1-17-15(18-5-6-21-13(22)9-19-16(21)23)20-10-7-11(24-2)14(26-4)12(8-10)25-3;/h7-8H,5-6,9H2,1-4H3,(H,19,23)(H2,17,18,20);1H.
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide has a molecular weight of 493.30 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111827798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).