2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine

C17H19N5S — CID 111074399

IUPAC2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\Cc1ccccc1-n1ccnc1)NCCc1cccs1
InChIInChI=1S/C17H19N5S/c18-17(20-8-7-15-5-3-11-23-15)21-12-14-4-1-2-6-16(14)22-10-9-19-13-22/h1-6,9-11,13H,7-8,12H2,(H3,18,20,21)
InChIKeyDCEYBEJRQNKFFL-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.58
Rot. Bonds6

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

2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111074399) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111074399
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\Cc1ccccc1-n1ccnc1)NCCc1cccs1
InChIInChI=1S/C17H19N5S/c18-17(20-8-7-15-5-3-11-23-15)21-12-14-4-1-2-6-16(14)22-10-9-19-13-22/h1-6,9-11,13H,7-8,12H2,(H3,18,20,21)
InChIKeyDCEYBEJRQNKFFL-UHFFFAOYSA-N
XLogP2.58
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.58
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-methyltetrazol-5-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 120603223
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111074361
2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111061885
2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111911568
2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111065921
2-[(2-imidazol-1-ylphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111074405
2-[(4-methylsulfanylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111079364
2-[(2-imidazol-1-ylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111074422
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
1-[2-(isocyanatomethyl)phenyl]imidazole
CID 117288380
1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111044377

Frequently Asked Questions

What is the IUPAC name of 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine (CID 111074399) is 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine is N/C(=N\Cc1ccccc1-n1ccnc1)NCCc1cccs1.
What is the InChIKey of 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is DCEYBEJRQNKFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c18-17(20-8-7-15-5-3-11-23-15)21-12-14-4-1-2-6-16(14)22-10-9-19-13-22/h1-6,9-11,13H,7-8,12H2,(H3,18,20,21).
What are the key properties of 2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine?
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 325.44 g/mol, XLogP of 2.58, 6 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-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111074399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).