1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine

C25H33N5O2 — CID 109460892

IUPAC1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine
SMILESCCN/C(=N\Cc1nccn1CCc1ccccc1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C25H33N5O2/c1-3-26-25(29-22-11-7-12-23(19-22)32-18-8-17-31-2)28-20-24-27-14-16-30(24)15-13-21-9-5-4-6-10-21/h4-7,9-12,14,16,19H,3,8,13,15,17-18,20H2,1-2H3,(H2,26,28,29)
InChIKeyCFIFYCCNHHBVJY-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.12
Rot. Bonds12

About 1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine

1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine (PubChem CID 109460892) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine
PubChem CID109460892
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine
SMILESCCN/C(=N\Cc1nccn1CCc1ccccc1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C25H33N5O2/c1-3-26-25(29-22-11-7-12-23(19-22)32-18-8-17-31-2)28-20-24-27-14-16-30(24)15-13-21-9-5-4-6-10-21/h4-7,9-12,14,16,19H,3,8,13,15,17-18,20H2,1-2H3,(H2,26,28,29)
InChIKeyCFIFYCCNHHBVJY-UHFFFAOYSA-N
XLogP4.12
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 109461974
1,2-diethyl-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109461002
1,3-diethyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine
CID 111911648
methyl N-[4-[[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]methyl]phenyl]carbamate
CID 109460588
1-ethyl-2-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine;hydroiodide
CID 109462209
1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 109460234
2-(2-benzylsulfinylethyl)-1-ethyl-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109461602
1-ethyl-2-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109461990
1-ethyl-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109461018
2-[[4-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109460644
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109460174
2-[(4-cyanophenyl)methyl]-1-ethyl-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109461262

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine (CID 109460892) is 1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine is CCN/C(=N\Cc1nccn1CCc1ccccc1)Nc1cccc(OCCCOC)c1.
What is the InChIKey of 1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine?
The InChIKey is CFIFYCCNHHBVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-26-25(29-22-11-7-12-23(19-22)32-18-8-17-31-2)28-20-24-27-14-16-30(24)15-13-21-9-5-4-6-10-21/h4-7,9-12,14,16,19H,3,8,13,15,17-18,20H2,1-2H3,(H2,26,28,29).
What are the key properties of 1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine?
1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine has a molecular weight of 435.57 g/mol, XLogP of 4.12, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine is sourced from PubChem (CID 109460892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).