2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine

C18H19N5O — CID 111074361

IUPAC2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/Cc1ccccc1-n1ccnc1
InChIInChI=1S/C18H19N5O/c1-24-17-9-5-3-7-15(17)22-18(19)21-12-14-6-2-4-8-16(14)23-11-10-20-13-23/h2-11,13H,12H2,1H3,(H3,19,21,22)
InChIKeyGDQHJXVZCYWJER-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.81
Rot. Bonds5

About 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine

2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine (PubChem CID 111074361) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
PubChem CID111074361
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/Cc1ccccc1-n1ccnc1
InChIInChI=1S/C18H19N5O/c1-24-17-9-5-3-7-15(17)22-18(19)21-12-14-6-2-4-8-16(14)23-11-10-20-13-23/h2-11,13H,12H2,1H3,(H3,19,21,22)
InChIKeyGDQHJXVZCYWJER-UHFFFAOYSA-N
XLogP2.81
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.81
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-imidazol-1-ylphenyl)methyl]-1-phenylguanidine
CID 110918260
2-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111090732
2-[(2-imidazol-1-ylphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111074405
2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111051479
2-[(2-imidazol-1-ylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111074422
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine
CID 111682502
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036259
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111074399
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816431
N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562

Frequently Asked Questions

What is the IUPAC name of 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine?
The IUPAC name of 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine (CID 111074361) is 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine?
The canonical SMILES for 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine is COc1ccccc1N/C(N)=N/Cc1ccccc1-n1ccnc1.
What is the InChIKey of 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine?
The InChIKey is GDQHJXVZCYWJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-24-17-9-5-3-7-15(17)22-18(19)21-12-14-6-2-4-8-16(14)23-11-10-20-13-23/h2-11,13H,12H2,1H3,(H3,19,21,22).
What are the key properties of 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine?
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine has a molecular weight of 321.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine is sourced from PubChem (CID 111074361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).