1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide

C17H26IN5 — CID 111817965

IUPAC1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/Cc2nccn2CC(C)C)cc1.I
InChIInChI=1S/C17H25N5.HI/c1-4-14-5-7-15(8-6-14)21-17(18)20-11-16-19-9-10-22(16)12-13(2)3;/h5-10,13H,4,11-12H2,1-3H3,(H3,18,20,21);1H
InChIKeyCOBFMKTVEHJYAA-UHFFFAOYSA-N
MW427.33 g/mol
LogP3.65
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide

1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide (PubChem CID 111817965) has the molecular formula C17H26IN5 and a molecular weight of 427.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
PubChem CID111817965
Molecular FormulaC17H26IN5
Molecular Weight427.33 g/mol
Exact Mass427.12
IUPAC Name1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/Cc2nccn2CC(C)C)cc1.I
InChIInChI=1S/C17H25N5.HI/c1-4-14-5-7-15(8-6-14)21-17(18)20-11-16-19-9-10-22(16)12-13(2)3;/h5-10,13H,4,11-12H2,1-3H3,(H3,18,20,21);1H
InChIKeyCOBFMKTVEHJYAA-UHFFFAOYSA-N
XLogP3.65
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 53.65
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-(4-methylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817983
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111817931
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide
CID 111818003
1-cyclopentyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119148112
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111817947
1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111818024
2-[(1-benzylimidazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111817135
1-(4-methylphenyl)-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911639
1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111818001
2-[(1-benzylimidazol-2-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111817145
2-[(1-methylimidazol-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 119121582
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-phenylguanidine;hydroiodide
CID 110918564

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide (CID 111817965) is 1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide is CCc1ccc(N/C(N)=N/Cc2nccn2CC(C)C)cc1.I.
What is the InChIKey of 1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
The InChIKey is COBFMKTVEHJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5.HI/c1-4-14-5-7-15(8-6-14)21-17(18)20-11-16-19-9-10-22(16)12-13(2)3;/h5-10,13H,4,11-12H2,1-3H3,(H3,18,20,21);1H.
What are the key properties of 1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide?
1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide has a molecular weight of 427.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111817965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).