1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide

C15H23ClIN5O — CID 110061483

IUPAC1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccco1)N(C)Cc1ncc(Cl)n1C.I
InChIInChI=1S/C15H22ClN5O.HI/c1-4-17-15(18-8-7-12-6-5-9-22-12)20(2)11-14-19-10-13(16)21(14)3;/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,17,18);1H
InChIKeyQEYXIUJYRFVNCJ-UHFFFAOYSA-N
MW451.74 g/mol
LogP2.92
Rot. Bonds6

About 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide

1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide (PubChem CID 110061483) has the molecular formula C15H23ClIN5O and a molecular weight of 451.74 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide
PubChem CID110061483
Molecular FormulaC15H23ClIN5O
Molecular Weight451.74 g/mol
Exact Mass451.06
IUPAC Name1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccco1)N(C)Cc1ncc(Cl)n1C.I
InChIInChI=1S/C15H22ClN5O.HI/c1-4-17-15(18-8-7-12-6-5-9-22-12)20(2)11-14-19-10-13(16)21(14)3;/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,17,18);1H
InChIKeyQEYXIUJYRFVNCJ-UHFFFAOYSA-N
XLogP2.92
TPSA58.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide 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

1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine
CID 110061502
3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-[(3,4,5-trifluorophenyl)methyl]guanidine;hydroiodide
CID 110061373
3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110061725
3-[2-(furan-2-yl)ethyl]-1-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]-2-propylguanidine
CID 110060114
2-[2-(furan-2-yl)ethyl]-1-methyl-3-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 136920970
1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine
CID 110951910
3-butan-2-yl-1-butyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide
CID 110053337
2-[[[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049901
2-[2-(furan-2-yl)ethyl]-1-methyl-3-(2-phenylsulfanylethyl)-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 110060981
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 110055715
N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide
CID 111363350
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402751

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide (CID 110061483) is 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide is CCN/C(=N\CCc1ccco1)N(C)Cc1ncc(Cl)n1C.I.
What is the InChIKey of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide?
The InChIKey is QEYXIUJYRFVNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O.HI/c1-4-17-15(18-8-7-12-6-5-9-22-12)20(2)11-14-19-10-13(16)21(14)3;/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,17,18);1H.
What are the key properties of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide?
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide has a molecular weight of 451.74 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110061483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).