2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

C17H26IN7O — CID 111088472

IUPAC2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccnc(-n2ccnc2)c1)NCCCN1CCOCC1
InChIInChI=1S/C17H25N7O.HI/c18-17(21-3-1-6-23-8-10-25-11-9-23)22-13-15-2-4-20-16(12-15)24-7-5-19-14-24;/h2,4-5,7,12,14H,1,3,6,8-11,13H2,(H3,18,21,22);1H
InChIKeyAFMJRWAPQSXRSZ-UHFFFAOYSA-N
MW471.35 g/mol
LogP1.01
Rot. Bonds7

About 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111088472) has the molecular formula C17H26IN7O and a molecular weight of 471.35 g/mol. Its IUPAC name is 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111088472
Molecular FormulaC17H26IN7O
Molecular Weight471.35 g/mol
Exact Mass471.12
IUPAC Name2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccnc(-n2ccnc2)c1)NCCCN1CCOCC1
InChIInChI=1S/C17H25N7O.HI/c18-17(21-3-1-6-23-8-10-25-11-9-23)22-13-15-2-4-20-16(12-15)24-7-5-19-14-24;/h2,4-5,7,12,14H,1,3,6,8-11,13H2,(H3,18,21,22);1H
InChIKeyAFMJRWAPQSXRSZ-UHFFFAOYSA-N
XLogP1.01
TPSA93.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-morpholin-4-ylpropyl)-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111041217
2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 91642297
1-(3-morpholin-4-ylpropyl)-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine
CID 111050198
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111091747
1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111658682
2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111033514
2-[(3-fluoro-4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111037730
2-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111816249
1-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111070163
2-[(4-methoxy-3-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111095727
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111088490
1-(3-morpholin-4-ylpropyl)-2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111069355

Frequently Asked Questions

What is the IUPAC name of 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111088472) is 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is I.N/C(=N\Cc1ccnc(-n2ccnc2)c1)NCCCN1CCOCC1.
What is the InChIKey of 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is AFMJRWAPQSXRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O.HI/c18-17(21-3-1-6-23-8-10-25-11-9-23)22-13-15-2-4-20-16(12-15)24-7-5-19-14-24;/h2,4-5,7,12,14H,1,3,6,8-11,13H2,(H3,18,21,22);1H.
What are the key properties of 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 471.35 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111088472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).