2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine

C6H11N5O — CID 126580838

IUPAC2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine
SMILESC/N=C(\N)NC1=NC(C)C(=O)N1
InChIInChI=1S/C6H11N5O/c1-3-4(12)10-6(9-3)11-5(7)8-2/h3H,1-2H3,(H4,7,8,9,10,11,12)
InChIKeyVQYAMQHSZCNBRC-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.61
Rot. Bonds

About 2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine

2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine (PubChem CID 126580838) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine
PubChem CID126580838
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine
SMILESC/N=C(\N)NC1=NC(C)C(=O)N1
InChIInChI=1S/C6H11N5O/c1-3-4(12)10-6(9-3)11-5(7)8-2/h3H,1-2H3,(H4,7,8,9,10,11,12)
InChIKeyVQYAMQHSZCNBRC-UHFFFAOYSA-N
XLogP-1.61
TPSA91.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine?
The IUPAC name of 2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine (CID 126580838) is 2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine?
The canonical SMILES for 2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine is C/N=C(\N)NC1=NC(C)C(=O)N1.
What is the InChIKey of 2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine?
The InChIKey is VQYAMQHSZCNBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-3-4(12)10-6(9-3)11-5(7)8-2/h3H,1-2H3,(H4,7,8,9,10,11,12).
What are the key properties of 2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine?
2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine has a molecular weight of 169.19 g/mol, XLogP of -1.61, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-5-oxo-1,4-dihydroimidazol-2-yl)guanidine is sourced from PubChem (CID 126580838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).