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

C15H22IN5O3 — CID 111828318

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCN1C(=O)CNC1=O)NCc1ccc(OC)cc1.I
InChIInChI=1S/C15H21N5O3.HI/c1-16-14(17-7-8-20-13(21)10-19-15(20)22)18-9-11-3-5-12(23-2)6-4-11;/h3-6H,7-10H2,1-2H3,(H,19,22)(H2,16,17,18);1H
InChIKeyJVZXMLMPQHMMJS-UHFFFAOYSA-N
MW447.28 g/mol
LogP0.53
Rot. Bonds6

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

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 111828318) has the molecular formula C15H22IN5O3 and a molecular weight of 447.28 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID111828318
Molecular FormulaC15H22IN5O3
Molecular Weight447.28 g/mol
Exact Mass447.08
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCN1C(=O)CNC1=O)NCc1ccc(OC)cc1.I
InChIInChI=1S/C15H21N5O3.HI/c1-16-14(17-7-8-20-13(21)10-19-15(20)22)18-9-11-3-5-12(23-2)6-4-11;/h3-6H,7-10H2,1-2H3,(H,19,22)(H2,16,17,18);1H
InChIKeyJVZXMLMPQHMMJS-UHFFFAOYSA-N
XLogP0.53
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.28
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-[(4-methoxyphenyl)methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111181694
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111182835
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 75420879
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119148599
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111827798
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine;hydroiodide
CID 111183695
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]guanidine
CID 111772930
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111828941
1-[3-(4-methoxyphenoxy)propyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182264
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978210
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2,3-diphenylpropyl)-2-methylguanidine;hydroiodide
CID 109389807
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111169867

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide (CID 111828318) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCN1C(=O)CNC1=O)NCc1ccc(OC)cc1.I.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is JVZXMLMPQHMMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3.HI/c1-16-14(17-7-8-20-13(21)10-19-15(20)22)18-9-11-3-5-12(23-2)6-4-11;/h3-6H,7-10H2,1-2H3,(H,19,22)(H2,16,17,18);1H.
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 447.28 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111828318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).