2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine

C25H25N5 — CID 91512391

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine
SMILESN/C(=N\CCc1cnc[nH]1)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N5/c26-24(28-17-16-23-18-27-19-29-23)30-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,27,29)(H3,26,28,30)
InChIKeyNXYAJGMUGISBFM-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.85
Rot. Bonds7

About 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine

2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine (PubChem CID 91512391) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine
PubChem CID91512391
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine
SMILESN/C(=N\CCc1cnc[nH]1)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N5/c26-24(28-17-16-23-18-27-19-29-23)30-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,27,29)(H3,26,28,30)
InChIKeyNXYAJGMUGISBFM-UHFFFAOYSA-N
XLogP3.85
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine 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-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine
CID 10331400
N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide
CID 65236768
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate
CID 10085528
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2,2-diphenylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 25150701
1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
CID 104886521
N,N'-bis[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]decanediamide;tetrakis(2,2,2-trifluoroacetic acid)
CID 56954321
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide
CID 42626109
3-(1H-imidazol-5-yl)propyl N'-(3,3-diphenylpropyl)carbamimidothioate
CID 45268095
1-[3,3-bis(3-fluorophenyl)propyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 15014658
1-[2-(N-benzyl-4-fluoroanilino)ethyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine;trihydrochloride
CID 70352586
5-(3-phenylpropyl)-1H-imidazole
CID 10035345

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine (CID 91512391) is 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine is N/C(=N\CCc1cnc[nH]1)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine?
The InChIKey is NXYAJGMUGISBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c26-24(28-17-16-23-18-27-19-29-23)30-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,27,29)(H3,26,28,30).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine?
2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine has a molecular weight of 395.51 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine is sourced from PubChem (CID 91512391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).