2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine

C17H17N5 — CID 110918260

IUPAC2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine
SMILESN/C(=N\Cc1ccccc1-n1ccnc1)Nc1ccccc1
InChIInChI=1S/C17H17N5/c18-17(21-15-7-2-1-3-8-15)20-12-14-6-4-5-9-16(14)22-11-10-19-13-22/h1-11,13H,12H2,(H3,18,20,21)
InChIKeyVTADSXARJFELED-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.80
Rot. Bonds4

About 2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine

2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine (PubChem CID 110918260) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine
PubChem CID110918260
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine
SMILESN/C(=N\Cc1ccccc1-n1ccnc1)Nc1ccccc1
InChIInChI=1S/C17H17N5/c18-17(21-15-7-2-1-3-8-15)20-12-14-6-4-5-9-16(14)22-11-10-19-13-22/h1-11,13H,12H2,(H3,18,20,21)
InChIKeyVTADSXARJFELED-UHFFFAOYSA-N
XLogP2.80
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
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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Related Compounds

2-[(2-imidazol-1-ylphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111074405
2-[(2-imidazol-1-ylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111074422
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111074361
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111074399
1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine
CID 110030414
1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110893192
N'-[(2-imidazol-1-ylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119119768
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
1-[2-(isocyanatomethyl)phenyl]imidazole
CID 117288380
1-tert-butyl-3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110967209
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
(2-imidazol-1-ylphenyl)methyl N'-phenylcarbamimidothioate
CID 158769007

Frequently Asked Questions

What is the IUPAC name of 2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine?
The IUPAC name of 2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine (CID 110918260) is 2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine?
The canonical SMILES for 2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine is N/C(=N\Cc1ccccc1-n1ccnc1)Nc1ccccc1.
What is the InChIKey of 2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine?
The InChIKey is VTADSXARJFELED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c18-17(21-15-7-2-1-3-8-15)20-12-14-6-4-5-9-16(14)22-11-10-19-13-22/h1-11,13H,12H2,(H3,18,20,21).
What are the key properties of 2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine?
2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine has a molecular weight of 291.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine is sourced from PubChem (CID 110918260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).