2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium

C24H36N5+ — CID 7010805

IUPAC2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium
SMILESCCN(CC)c1ccc(CNc2nc3ccccc3n2CC[NH+](CC)CC)cc1
InChIInChI=1S/C24H35N5/c1-5-27(6-2)17-18-29-23-12-10-9-11-22(23)26-24(29)25-19-20-13-15-21(16-14-20)28(7-3)8-4/h9-16H,5-8,17-19H2,1-4H3,(H,25,26)/p+1
InChIKeyVOCNMIJDJPPBIF-UHFFFAOYSA-O
MW394.59 g/mol
LogP3.42
Rot. Bonds11

About 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium

2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium (PubChem CID 7010805) has the molecular formula C24H36N5+ and a molecular weight of 394.59 g/mol. Its IUPAC name is 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium
PubChem CID7010805
Molecular FormulaC24H36N5+
Molecular Weight394.59 g/mol
Exact Mass394.30
IUPAC Name2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium
SMILESCCN(CC)c1ccc(CNc2nc3ccccc3n2CC[NH+](CC)CC)cc1
InChIInChI=1S/C24H35N5/c1-5-27(6-2)17-18-29-23-12-10-9-11-22(23)26-24(29)25-19-20-13-15-21(16-14-20)28(7-3)8-4/h9-16H,5-8,17-19H2,1-4H3,(H,25,26)/p+1
InChIKeyVOCNMIJDJPPBIF-UHFFFAOYSA-O
XLogP3.42
TPSA37.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium 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-[[[1-[2-(diethylazaniumyl)ethyl]benzimidazol-2-yl]amino]methyl]phenolate
CID 1399055
4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine
CID 4697855
1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
CID 2870437
N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine
CID 7342816
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium
CID 7423926
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 2967680
diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium
CID 3610351
N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine
CID 166172551
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
CID 6603193
2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol
CID 115144119

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium?
The IUPAC name of 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium (CID 7010805) is 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium.
What is the SMILES notation for 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium?
The canonical SMILES for 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium is CCN(CC)c1ccc(CNc2nc3ccccc3n2CC[NH+](CC)CC)cc1.
What is the InChIKey of 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium?
The InChIKey is VOCNMIJDJPPBIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H35N5/c1-5-27(6-2)17-18-29-23-12-10-9-11-22(23)26-24(29)25-19-20-13-15-21(16-14-20)28(7-3)8-4/h9-16H,5-8,17-19H2,1-4H3,(H,25,26)/p+1.
What are the key properties of 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium?
2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium has a molecular weight of 394.59 g/mol, XLogP of 3.42, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium is sourced from PubChem (CID 7010805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).