1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide

C17H24IN5 — CID 75512611

IUPAC1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1nccn1CCCc1ccccc1)NC1CC1
InChIInChI=1S/C17H23N5.HI/c18-17(21-15-8-9-15)20-13-16-19-10-12-22(16)11-4-7-14-5-2-1-3-6-14;/h1-3,5-6,10,12,15H,4,7-9,11,13H2,(H3,18,20,21);1H
InChIKeyGONBKEQWUNZMAY-UHFFFAOYSA-N
MW425.32 g/mol
LogP2.70
Rot. Bonds7

About 1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide

1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide (PubChem CID 75512611) has the molecular formula C17H24IN5 and a molecular weight of 425.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
PubChem CID75512611
Molecular FormulaC17H24IN5
Molecular Weight425.32 g/mol
Exact Mass425.11
IUPAC Name1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1nccn1CCCc1ccccc1)NC1CC1
InChIInChI=1S/C17H23N5.HI/c18-17(21-15-8-9-15)20-13-16-19-10-12-22(16)11-4-7-14-5-2-1-3-6-14;/h1-3,5-6,10,12,15H,4,7-9,11,13H2,(H3,18,20,21);1H
InChIKeyGONBKEQWUNZMAY-UHFFFAOYSA-N
XLogP2.70
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911607
1-(4-methylphenyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911639
2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111911487
1,3-diethyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine
CID 111911648
1-(6-methylheptan-2-yl)-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911581
1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119121482
2-[(1-benzylimidazol-2-yl)methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111817215
1-cyclopentyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119148112
2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111911568
1-(1-methoxypropan-2-yl)-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911459
(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 120801426
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide (CID 75512611) is 1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide is I.N/C(=N\Cc1nccn1CCCc1ccccc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The InChIKey is GONBKEQWUNZMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5.HI/c18-17(21-15-8-9-15)20-13-16-19-10-12-22(16)11-4-7-14-5-2-1-3-6-14;/h1-3,5-6,10,12,15H,4,7-9,11,13H2,(H3,18,20,21);1H.
What are the key properties of 1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide has a molecular weight of 425.32 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 75512611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).