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

C13H17IN6 — CID 119118530

IUPAC1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1cccnc1-n1ccnc1)NC1CC1
InChIInChI=1S/C13H16N6.HI/c14-13(18-11-3-4-11)17-8-10-2-1-5-16-12(10)19-7-6-15-9-19;/h1-2,5-7,9,11H,3-4,8H2,(H3,14,17,18);1H
InChIKeyUIXPCVHEPUVVKI-UHFFFAOYSA-N
MW384.23 g/mol
LogP1.45
Rot. Bonds4

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

1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 119118530) has the molecular formula C13H17IN6 and a molecular weight of 384.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID119118530
Molecular FormulaC13H17IN6
Molecular Weight384.23 g/mol
Exact Mass384.06
IUPAC Name1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1cccnc1-n1ccnc1)NC1CC1
InChIInChI=1S/C13H16N6.HI/c14-13(18-11-3-4-11)17-8-10-2-1-5-16-12(10)19-7-6-15-9-19;/h1-2,5-7,9,11H,3-4,8H2,(H3,14,17,18);1H
InChIKeyUIXPCVHEPUVVKI-UHFFFAOYSA-N
XLogP1.45
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
CID 119114542
1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 75534547
N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide
CID 119118525
N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119118543
1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 119116062
1-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-prop-2-ynylguanidine
CID 119149052
N-ethyl-N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 119142539
N-ethyl-N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142716
ethyl 4-[[N'-[(2-ethoxy-3-pyridinyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111050747
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
CID 111751900
1-cyclopropyl-2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110028746
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide (CID 119118530) is 1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide is I.N/C(=N\Cc1cccnc1-n1ccnc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is UIXPCVHEPUVVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6.HI/c14-13(18-11-3-4-11)17-8-10-2-1-5-16-12(10)19-7-6-15-9-19;/h1-2,5-7,9,11H,3-4,8H2,(H3,14,17,18);1H.
What are the key properties of 1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 384.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119118530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).