2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine

C20H23N5 — CID 111051496

IUPAC2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
SMILESN/C(=N\Cc1cccc(Cn2ccnc2)c1)NCCc1ccccc1
InChIInChI=1S/C20H23N5/c21-20(23-10-9-17-5-2-1-3-6-17)24-14-18-7-4-8-19(13-18)15-25-12-11-22-16-25/h1-8,11-13,16H,9-10,14-15H2,(H3,21,23,24)
InChIKeyWUGFNKWEBPDIBG-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.58
Rot. Bonds7

About 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine

2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine (PubChem CID 111051496) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
PubChem CID111051496
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
SMILESN/C(=N\Cc1cccc(Cn2ccnc2)c1)NCCc1ccccc1
InChIInChI=1S/C20H23N5/c21-20(23-10-9-17-5-2-1-3-6-17)24-14-18-7-4-8-19(13-18)15-25-12-11-22-16-25/h1-8,11-13,16H,9-10,14-15H2,(H3,21,23,24)
InChIKeyWUGFNKWEBPDIBG-UHFFFAOYSA-N
XLogP2.58
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.58
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'}

Analyze 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)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

2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111064066
1-ethyl-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135408
1-(3-ethoxypropyl)-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111051520
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111229053
2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111051479
2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111051513
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111051550
2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
CID 111054009
1-butyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111064058
1-ethyl-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111948738
1-hexyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111064081
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]benzamide
CID 44560999

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine (CID 111051496) is 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine is N/C(=N\Cc1cccc(Cn2ccnc2)c1)NCCc1ccccc1.
What is the InChIKey of 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine?
The InChIKey is WUGFNKWEBPDIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c21-20(23-10-9-17-5-2-1-3-6-17)24-14-18-7-4-8-19(13-18)15-25-12-11-22-16-25/h1-8,11-13,16H,9-10,14-15H2,(H3,21,23,24).
What are the key properties of 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine?
2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine has a molecular weight of 333.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111051496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).