2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine

C24H38N10+2 — CID 101001788

IUPAC2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine
SMILESCN(C)/C(=N\Cc1cccc(C/N=C(/NCCc2c[nH+]c[nH]2)N(C)C)c1)NCCc1c[nH+]c[nH]1
InChIInChI=1S/C24H36N10/c1-33(2)23(27-10-8-21-15-25-17-31-21)29-13-19-6-5-7-20(12-19)14-30-24(34(3)4)28-11-9-22-16-26-18-32-22/h5-7,12,15-18H,8-11,13-14H2,1-4H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/p+2
InChIKeyGQXUUNJSKOHQTP-UHFFFAOYSA-P
MW466.64 g/mol
LogP0.47
Rot. Bonds10

About 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine

2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine (PubChem CID 101001788) has the molecular formula C24H38N10+2 and a molecular weight of 466.64 g/mol. Its IUPAC name is 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine
PubChem CID101001788
Molecular FormulaC24H38N10+2
Molecular Weight466.64 g/mol
Exact Mass466.33
IUPAC Name2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine
SMILESCN(C)/C(=N\Cc1cccc(C/N=C(/NCCc2c[nH+]c[nH]2)N(C)C)c1)NCCc1c[nH+]c[nH]1
InChIInChI=1S/C24H36N10/c1-33(2)23(27-10-8-21-15-25-17-31-21)29-13-19-6-5-7-20(12-19)14-30-24(34(3)4)28-11-9-22-16-26-18-32-22/h5-7,12,15-18H,8-11,13-14H2,1-4H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/p+2
InChIKeyGQXUUNJSKOHQTP-UHFFFAOYSA-P
XLogP0.47
TPSA115.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.64
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine 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-[[3-[[[dimethylamino-[2-(1H-imidazol-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1,1-dimethylguanidine
CID 10793819
2-benzyl-1,1-dimethyl-3-(2-phenylethyl)guanidine
CID 111022931
2-benzyl-3-[2-(2,5-difluorophenyl)ethyl]-1,1-dimethylguanidine;hydroiodide
CID 111600874
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzyl-1,1-dimethylguanidine;hydroiodide
CID 111034192
2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 111802496
2-benzyl-1,1-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111066939
propan-2-yl 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]propanoate
CID 111037142
2-benzyl-3-[2-(2-methoxyphenyl)ethyl]-1,1-dimethylguanidine;hydroiodide
CID 111030115
3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide
CID 111068269
methyl 3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111063956
2-benzyl-1,1-dimethyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111024333
2-benzyl-1,1-dimethyl-3-(3-methylsulfanylpropyl)guanidine
CID 111492828

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine (CID 101001788) is 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine is CN(C)/C(=N\Cc1cccc(C/N=C(/NCCc2c[nH+]c[nH]2)N(C)C)c1)NCCc1c[nH+]c[nH]1.
What is the InChIKey of 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine?
The InChIKey is GQXUUNJSKOHQTP-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H36N10/c1-33(2)23(27-10-8-21-15-25-17-31-21)29-13-19-6-5-7-20(12-19)14-30-24(34(3)4)28-11-9-22-16-26-18-32-22/h5-7,12,15-18H,8-11,13-14H2,1-4H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/p+2.
What are the key properties of 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine?
2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine has a molecular weight of 466.64 g/mol, XLogP of 0.47, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[[dimethylamino-[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]amino]methyl]phenyl]methyl]-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1,1-dimethylguanidine is sourced from PubChem (CID 101001788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).