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

C19H28IN5 — CID 111911607

IUPAC1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1nccn1CCCc1ccccc1)NCC1CCC1
InChIInChI=1S/C19H27N5.HI/c20-19(22-14-17-8-4-9-17)23-15-18-21-11-13-24(18)12-5-10-16-6-2-1-3-7-16;/h1-3,6-7,11,13,17H,4-5,8-10,12,14-15H2,(H3,20,22,23);1H
InChIKeyNFWQTLMCEBGSCV-UHFFFAOYSA-N
MW453.37 g/mol
LogP3.34
Rot. Bonds8

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

1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide (PubChem CID 111911607) has the molecular formula C19H28IN5 and a molecular weight of 453.37 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
PubChem CID111911607
Molecular FormulaC19H28IN5
Molecular Weight453.37 g/mol
Exact Mass453.14
IUPAC Name1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1nccn1CCCc1ccccc1)NCC1CCC1
InChIInChI=1S/C19H27N5.HI/c20-19(22-14-17-8-4-9-17)23-15-18-21-11-13-24(18)12-5-10-16-6-2-1-3-7-16;/h1-3,6-7,11,13,17H,4-5,8-10,12,14-15H2,(H3,20,22,23);1H
InChIKeyNFWQTLMCEBGSCV-UHFFFAOYSA-N
XLogP3.34
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 53.34
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

2-[(1-benzylimidazol-2-yl)methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111817215
1-cyclopropyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 75512611
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
2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111911568
1-(6-methylheptan-2-yl)-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911581
1-(1-methoxypropan-2-yl)-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911459
1-(cyclobutylmethyl)-2-[(4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111047621
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 120801426
1-(cyclobutylmethyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050659
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111089242

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide (CID 111911607) is 1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide is I.N/C(=N\Cc1nccn1CCCc1ccccc1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The InChIKey is NFWQTLMCEBGSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5.HI/c20-19(22-14-17-8-4-9-17)23-15-18-21-11-13-24(18)12-5-10-16-6-2-1-3-7-16;/h1-3,6-7,11,13,17H,4-5,8-10,12,14-15H2,(H3,20,22,23);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide has a molecular weight of 453.37 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111911607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).