2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide

C15H20IN5O2 — CID 120913541

IUPAC2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
SMILESCC1(C2CC2)NC(=O)N(c2ccc(CN=C(N)N)cc2)C1=O.I
InChIInChI=1S/C15H19N5O2.HI/c1-15(10-4-5-10)12(21)20(14(22)19-15)11-6-2-9(3-7-11)8-18-13(16)17;/h2-3,6-7,10H,4-5,8H2,1H3,(H,19,22)(H4,16,17,18);1H
InChIKeyIUYFQZCPFKNJLJ-UHFFFAOYSA-N
MW429.26 g/mol
LogP1.30
Rot. Bonds4

About 2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide

2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 120913541) has the molecular formula C15H20IN5O2 and a molecular weight of 429.26 g/mol. Its IUPAC name is 2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
PubChem CID120913541
Molecular FormulaC15H20IN5O2
Molecular Weight429.26 g/mol
Exact Mass429.07
IUPAC Name2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
SMILESCC1(C2CC2)NC(=O)N(c2ccc(CN=C(N)N)cc2)C1=O.I
InChIInChI=1S/C15H19N5O2.HI/c1-15(10-4-5-10)12(21)20(14(22)19-15)11-6-2-9(3-7-11)8-18-13(16)17;/h2-3,6-7,10H,4-5,8H2,1H3,(H,19,22)(H4,16,17,18);1H
InChIKeyIUYFQZCPFKNJLJ-UHFFFAOYSA-N
XLogP1.30
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide (CID 120913541) is 2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide is CC1(C2CC2)NC(=O)N(c2ccc(CN=C(N)N)cc2)C1=O.I.
What is the InChIKey of 2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is IUYFQZCPFKNJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.HI/c1-15(10-4-5-10)12(21)20(14(22)19-15)11-6-2-9(3-7-11)8-18-13(16)17;/h2-3,6-7,10H,4-5,8H2,1H3,(H,19,22)(H4,16,17,18);1H.
What are the key properties of 2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?
2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 429.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 120913541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).