3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine

C21H25N5O — CID 111274183

IUPAC3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine
SMILESC/N=C(/NCc1ccccc1-n1ccnc1)N(C)CCOc1ccccc1
InChIInChI=1S/C21H25N5O/c1-22-21(25(2)14-15-27-19-9-4-3-5-10-19)24-16-18-8-6-7-11-20(18)26-13-12-23-17-26/h3-13,17H,14-16H2,1-2H3,(H,22,24)
InChIKeyFCBVACJTKHZTST-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.96
Rot. Bonds7

About 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine

3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine (PubChem CID 111274183) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine.

Molecular Properties

Compound Name3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine
PubChem CID111274183
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine
SMILESC/N=C(/NCc1ccccc1-n1ccnc1)N(C)CCOc1ccccc1
InChIInChI=1S/C21H25N5O/c1-22-21(25(2)14-15-27-19-9-4-3-5-10-19)24-16-18-8-6-7-11-20(18)26-13-12-23-17-26/h3-13,17H,14-16H2,1-2H3,(H,22,24)
InChIKeyFCBVACJTKHZTST-UHFFFAOYSA-N
XLogP2.96
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine
CID 111273377
1,2-dimethyl-1-(2-phenoxyethyl)-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111273086
1,2-dimethyl-1-(2-phenoxyethyl)-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111273217
1-benzyl-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110954851
1,2-dimethyl-1-(2-phenoxyethyl)-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 111274047
1-[(2-imidazol-1-ylphenyl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109460733
1-[(2-ethoxyphenyl)methyl]-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111880778
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342353
1,2-dimethyl-3-[(1-methylpyrazol-4-yl)methyl]-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111274208
3-[(4-methoxyphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111273776
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359195
3-[2-(2-methoxyphenyl)ethyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111274446

Frequently Asked Questions

What is the IUPAC name of 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine?
The IUPAC name of 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine (CID 111274183) is 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine.
What is the SMILES notation for 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine?
The canonical SMILES for 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine is C/N=C(/NCc1ccccc1-n1ccnc1)N(C)CCOc1ccccc1.
What is the InChIKey of 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine?
The InChIKey is FCBVACJTKHZTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-22-21(25(2)14-15-27-19-9-4-3-5-10-19)24-16-18-8-6-7-11-20(18)26-13-12-23-17-26/h3-13,17H,14-16H2,1-2H3,(H,22,24).
What are the key properties of 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine?
3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine has a molecular weight of 363.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-imidazol-1-ylphenyl)methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine is sourced from PubChem (CID 111274183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).