2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole

C18H21N3O — CID 122190781

IUPAC2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole
SMILESCCc1nc2ccccc2n1CCCCOc1ccncc1
InChIInChI=1S/C18H21N3O/c1-2-18-20-16-7-3-4-8-17(16)21(18)13-5-6-14-22-15-9-11-19-12-10-15/h3-4,7-12H,2,5-6,13-14H2,1H3
InChIKeyNNEIFCQFJZVRII-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.85
Rot. Bonds7

About 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole

2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole (PubChem CID 122190781) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole
PubChem CID122190781
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole
SMILESCCc1nc2ccccc2n1CCCCOc1ccncc1
InChIInChI=1S/C18H21N3O/c1-2-18-20-16-7-3-4-8-17(16)21(18)13-5-6-14-22-15-9-11-19-12-10-15/h3-4,7-12H,2,5-6,13-14H2,1H3
InChIKeyNNEIFCQFJZVRII-UHFFFAOYSA-N
XLogP3.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole 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-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
CID 2945062
2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
CID 122190742
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424
1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole
CID 122190747
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
1-[4-(4-methylphenoxy)butyl]-2-(2-methylpropyl)benzimidazole
CID 18879040
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965650
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16995754

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole?
The IUPAC name of 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole (CID 122190781) is 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole.
What is the SMILES notation for 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole?
The canonical SMILES for 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole is CCc1nc2ccccc2n1CCCCOc1ccncc1.
What is the InChIKey of 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole?
The InChIKey is NNEIFCQFJZVRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-18-20-16-7-3-4-8-17(16)21(18)13-5-6-14-22-15-9-11-19-12-10-15/h3-4,7-12H,2,5-6,13-14H2,1H3.
What are the key properties of 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole?
2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole has a molecular weight of 295.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole is sourced from PubChem (CID 122190781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).