1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine

C12H16N6 — CID 99844699

IUPAC1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1cccnc1-n1ccnc1
InChIInChI=1S/C12H16N6/c1-13-12(14-2)17-8-10-4-3-5-16-11(10)18-7-6-15-9-18/h3-7,9H,8H2,1-2H3,(H2,13,14,17)
InChIKeyDHUAWGZYNVAPDW-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.56
Rot. Bonds3

About 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine

1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine (PubChem CID 99844699) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
PubChem CID99844699
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1cccnc1-n1ccnc1
InChIInChI=1S/C12H16N6/c1-13-12(14-2)17-8-10-4-3-5-16-11(10)18-7-6-15-9-18/h3-7,9H,8H2,1-2H3,(H2,13,14,17)
InChIKeyDHUAWGZYNVAPDW-UHFFFAOYSA-N
XLogP0.56
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.56
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'}

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Related Compounds

1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
CID 119114542
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114539
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62293447
1-benzyl-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110954851
1-[(2-ethoxyphenyl)methyl]-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111880778
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 42512706
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851810
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359195
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193923
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142670
1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 119116062

Frequently Asked Questions

What is the IUPAC name of 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine (CID 99844699) is 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCc1cccnc1-n1ccnc1.
What is the InChIKey of 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine?
The InChIKey is DHUAWGZYNVAPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-13-12(14-2)17-8-10-4-3-5-16-11(10)18-7-6-15-9-18/h3-7,9H,8H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine?
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine has a molecular weight of 244.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 99844699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).