1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide

C16H22IN5 — CID 111071586

IUPAC1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ncc(-c2ccccc2)[nH]1)NCC1CCC1
InChIInChI=1S/C16H21N5.HI/c17-16(19-9-12-5-4-6-12)20-11-15-18-10-14(21-15)13-7-2-1-3-8-13;/h1-3,7-8,10,12H,4-6,9,11H2,(H,18,21)(H3,17,19,20);1H
InChIKeyLZEWTFITGCKYNX-UHFFFAOYSA-N
MW411.29 g/mol
LogP2.90
Rot. Bonds5

About 1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide

1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111071586) has the molecular formula C16H22IN5 and a molecular weight of 411.29 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
PubChem CID111071586
Molecular FormulaC16H22IN5
Molecular Weight411.29 g/mol
Exact Mass411.09
IUPAC Name1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ncc(-c2ccccc2)[nH]1)NCC1CCC1
InChIInChI=1S/C16H21N5.HI/c17-16(19-9-12-5-4-6-12)20-11-15-18-10-14(21-15)13-7-2-1-3-8-13;/h1-3,7-8,10,12H,4-6,9,11H2,(H,18,21)(H3,17,19,20);1H
InChIKeyLZEWTFITGCKYNX-UHFFFAOYSA-N
XLogP2.90
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(2,3-dihydro-1H-inden-5-yl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111071582
ethyl 4-[[N'-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111071578
1-(cyclobutylmethyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038303
1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 111071565
1-(cyclobutylmethyl)-2-[(4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111047621
N'-[(5-phenyl-1H-imidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119479
2-[(1-benzylimidazol-2-yl)methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111817215
N-[2-[[N-ethyl-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927710
1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087928
N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide
CID 109427575
1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111051695
1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056450

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide (CID 111071586) is 1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide is I.N/C(=N\Cc1ncc(-c2ccccc2)[nH]1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is LZEWTFITGCKYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5.HI/c17-16(19-9-12-5-4-6-12)20-11-15-18-10-14(21-15)13-7-2-1-3-8-13;/h1-3,7-8,10,12H,4-6,9,11H2,(H,18,21)(H3,17,19,20);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 411.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111071586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).