2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine

C17H23N5 — CID 111790719

IUPAC2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/Cc1nccn1Cc1ccccc1)NCC
InChIInChI=1S/C17H23N5/c1-3-10-20-17(18-4-2)21-13-16-19-11-12-22(16)14-15-8-6-5-7-9-15/h3,5-9,11-12H,1,4,10,13-14H2,2H3,(H2,18,20,21)
InChIKeySOZYMQAQPSCCPA-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.17
Rot. Bonds7

About 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine

2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine (PubChem CID 111790719) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine
PubChem CID111790719
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/Cc1nccn1Cc1ccccc1)NCC
InChIInChI=1S/C17H23N5/c1-3-10-20-17(18-4-2)21-13-16-19-11-12-22(16)14-15-8-6-5-7-9-15/h3,5-9,11-12H,1,4,10,13-14H2,2H3,(H2,18,20,21)
InChIKeySOZYMQAQPSCCPA-UHFFFAOYSA-N
XLogP2.17
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.17
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine 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-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine
CID 110914921
2-[(1-benzylimidazol-2-yl)methyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109497849
2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979203
2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-[2-(3-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111797593
2-[(1-benzylimidazol-2-yl)methyl]-1-(3-butoxypropyl)-3-ethylguanidine;hydroiodide
CID 111794412
2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-[2-(2-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111796752
1,3-diethyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine
CID 111911648
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971062
1-[(1-benzylimidazol-2-yl)methyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine
CID 111794142
1-[(1-benzylimidazol-2-yl)methyl]-2-[(2-chlorophenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111792919
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine
CID 111265885
2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 109493986

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine?
The IUPAC name of 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine (CID 111790719) is 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine.
What is the SMILES notation for 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine?
The canonical SMILES for 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine is C=CCN/C(=N/Cc1nccn1Cc1ccccc1)NCC.
What is the InChIKey of 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine?
The InChIKey is SOZYMQAQPSCCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-10-20-17(18-4-2)21-13-16-19-11-12-22(16)14-15-8-6-5-7-9-15/h3,5-9,11-12H,1,4,10,13-14H2,2H3,(H2,18,20,21).
What are the key properties of 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine?
2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine has a molecular weight of 297.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine is sourced from PubChem (CID 111790719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).