2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine

C20H25N5 — CID 110953632

IUPAC2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C20H25N5/c1-3-21-20(23-15-17-9-5-4-6-10-17)22-13-14-25-16(2)24-18-11-7-8-12-19(18)25/h4-12H,3,13-15H2,1-2H3,(H2,21,22,23)
InChIKeyUHMAENLVFGONKK-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.10
Rot. Bonds6

About 2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine

2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine (PubChem CID 110953632) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
PubChem CID110953632
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C20H25N5/c1-3-21-20(23-15-17-9-5-4-6-10-17)22-13-14-25-16(2)24-18-11-7-8-12-19(18)25/h4-12H,3,13-15H2,1-2H3,(H2,21,22,23)
InChIKeyUHMAENLVFGONKK-UHFFFAOYSA-N
XLogP3.10
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.10
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'}

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Related Compounds

1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111265367
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111232268
2-butyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111150183
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111216428
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111352753
1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111015014
N-[3-[[[ethylamino-[3-(2-methylbenzimidazol-1-yl)propylamino]methylidene]amino]methyl]phenyl]acetamide
CID 111352126
1-ethyl-3-(2-hydroxyethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352894
1-ethyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111351861
2-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-1-ethyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111775525
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111775538
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111766545

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The IUPAC name of 2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine (CID 110953632) is 2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The canonical SMILES for 2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine is CCN/C(=N\Cc1ccccc1)NCCn1c(C)nc2ccccc21.
What is the InChIKey of 2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The InChIKey is UHMAENLVFGONKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-3-21-20(23-15-17-9-5-4-6-10-17)22-13-14-25-16(2)24-18-11-7-8-12-19(18)25/h4-12H,3,13-15H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine has a molecular weight of 335.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 110953632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).