N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide

C26H26FN3O2 — CID 17007826

IUPACN-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
SMILESCCc1ccc(OCCCn2c(CNC(=O)c3ccccc3F)nc3ccccc32)cc1
InChIInChI=1S/C26H26FN3O2/c1-2-19-12-14-20(15-13-19)32-17-7-16-30-24-11-6-5-10-23(24)29-25(30)18-28-26(31)21-8-3-4-9-22(21)27/h3-6,8-15H,2,7,16-18H2,1H3,(H,28,31)
InChIKeyCUTNCOUQHWJLSV-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.14
Rot. Bonds9

About N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide

N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide (PubChem CID 17007826) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
PubChem CID17007826
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC NameN-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
SMILESCCc1ccc(OCCCn2c(CNC(=O)c3ccccc3F)nc3ccccc32)cc1
InChIInChI=1S/C26H26FN3O2/c1-2-19-12-14-20(15-13-19)32-17-7-16-30-24-11-6-5-10-23(24)29-25(30)18-28-26(31)21-8-3-4-9-22(21)27/h3-6,8-15H,2,7,16-18H2,1H3,(H,28,31)
InChIKeyCUTNCOUQHWJLSV-UHFFFAOYSA-N
XLogP5.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide 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-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007822
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007688
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775
N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006840
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966597
2-fluoro-N-[(1-hexadecylbenzimidazol-2-yl)methyl]benzamide
CID 17007744
2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007843
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977369
2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007500
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969576
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973845
2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007837

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide (CID 17007826) is N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide is CCc1ccc(OCCCn2c(CNC(=O)c3ccccc3F)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide?
The InChIKey is CUTNCOUQHWJLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-2-19-12-14-20(15-13-19)32-17-7-16-30-24-11-6-5-10-23(24)29-25(30)18-28-26(31)21-8-3-4-9-22(21)27/h3-6,8-15H,2,7,16-18H2,1H3,(H,28,31).
What are the key properties of N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide?
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide has a molecular weight of 431.51 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 17007826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).