2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine

C7H13N5 — CID 20701192

IUPAC2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine
SMILESC/N=C(\N)NCc1nc[nH]c1C
InChIInChI=1S/C7H13N5/c1-5-6(12-4-11-5)3-10-7(8)9-2/h4H,3H2,1-2H3,(H,11,12)(H3,8,9,10)
InChIKeyVSGGLHYQMRMKLA-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.25
Rot. Bonds2

About 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine

2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine (PubChem CID 20701192) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine
PubChem CID20701192
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine
SMILESC/N=C(\N)NCc1nc[nH]c1C
InChIInChI=1S/C7H13N5/c1-5-6(12-4-11-5)3-10-7(8)9-2/h4H,3H2,1-2H3,(H,11,12)(H3,8,9,10)
InChIKeyVSGGLHYQMRMKLA-UHFFFAOYSA-N
XLogP-0.25
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine (CID 20701192) is 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine is C/N=C(\N)NCc1nc[nH]c1C.
What is the InChIKey of 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine?
The InChIKey is VSGGLHYQMRMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-5-6(12-4-11-5)3-10-7(8)9-2/h4H,3H2,1-2H3,(H,11,12)(H3,8,9,10).
What are the key properties of 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine?
2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine has a molecular weight of 167.22 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]guanidine is sourced from PubChem (CID 20701192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).