1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine

C16H23N5O — CID 111340771

IUPAC1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCc1ccccc1OC)NCCn1ccnc1
InChIInChI=1S/C16H23N5O/c1-17-16(20-10-12-21-11-9-18-13-21)19-8-7-14-5-3-4-6-15(14)22-2/h3-6,9,11,13H,7-8,10,12H2,1-2H3,(H2,17,19,20)
InChIKeyQVKATILJMCGXCN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.30
Rot. Bonds7

About 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine

1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine (PubChem CID 111340771) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
PubChem CID111340771
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCc1ccccc1OC)NCCn1ccnc1
InChIInChI=1S/C16H23N5O/c1-17-16(20-10-12-21-11-9-18-13-21)19-8-7-14-5-3-4-6-15(14)22-2/h3-6,9,11,13H,7-8,10,12H2,1-2H3,(H2,17,19,20)
InChIKeyQVKATILJMCGXCN-UHFFFAOYSA-N
XLogP1.30
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.30
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'}

Analyze 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine 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

1-[2-(2-chlorophenyl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 111882335
1-[2-(2-fluorophenyl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111362958
1-(2-imidazol-1-ylethyl)-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine
CID 111589141
1-(2-imidazol-1-ylethyl)-2-methyl-3-(3-phenylpropyl)guanidine
CID 111198866
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216017
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402565
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111338735
1-(2-methoxyethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 110941548
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134970
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111340223
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111135289
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111516348

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine (CID 111340771) is 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine is C/N=C(/NCCc1ccccc1OC)NCCn1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine?
The InChIKey is QVKATILJMCGXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-17-16(20-10-12-21-11-9-18-13-21)19-8-7-14-5-3-4-6-15(14)22-2/h3-6,9,11,13H,7-8,10,12H2,1-2H3,(H2,17,19,20).
What are the key properties of 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine?
1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine has a molecular weight of 301.39 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111340771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).