2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine

C16H24N6 — CID 119147414

IUPAC2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/Cc2cnc(N(C)C)n2C)c1
InChIInChI=1S/C16H24N6/c1-11-6-12(2)8-13(7-11)20-15(17)18-9-14-10-19-16(21(3)4)22(14)5/h6-8,10H,9H2,1-5H3,(H3,17,18,20)
InChIKeyFQTNUROICHLBNK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.03
Rot. Bonds4

About 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine

2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine (PubChem CID 119147414) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine
PubChem CID119147414
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/Cc2cnc(N(C)C)n2C)c1
InChIInChI=1S/C16H24N6/c1-11-6-12(2)8-13(7-11)20-15(17)18-9-14-10-19-16(21(3)4)22(14)5/h6-8,10H,9H2,1-5H3,(H3,17,18,20)
InChIKeyFQTNUROICHLBNK-UHFFFAOYSA-N
XLogP2.03
TPSA71.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.03
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

2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 119147413
1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
CID 119147427
1-cyclopentyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine
CID 119147380
1-(3,5-dimethylphenyl)-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119121548
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 109394458
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(3,5-dimethylphenyl)guanidine
CID 111814036
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111048921
1-(3,5-dimethylphenyl)-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111042013
2-[2-(3-cyano-1,2,4-triazol-1-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 120973393
5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 82761508
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111087460
2-[2-(dimethylamino)-2-methylpropyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111028695

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine?
The IUPAC name of 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine (CID 119147414) is 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine.
What is the SMILES notation for 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine?
The canonical SMILES for 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine is Cc1cc(C)cc(N/C(N)=N/Cc2cnc(N(C)C)n2C)c1.
What is the InChIKey of 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine?
The InChIKey is FQTNUROICHLBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-11-6-12(2)8-13(7-11)20-15(17)18-9-14-10-19-16(21(3)4)22(14)5/h6-8,10H,9H2,1-5H3,(H3,17,18,20).
What are the key properties of 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine?
2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine has a molecular weight of 300.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine is sourced from PubChem (CID 119147414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).