N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide

C31H36FN3O2 — CID 16989987

IUPACN-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
SMILESCC(C)(C)c1ccc(OCCn2c(CCCCCNC(=O)c3ccccc3F)nc3ccccc32)cc1
InChIInChI=1S/C31H36FN3O2/c1-31(2,3)23-16-18-24(19-17-23)37-22-21-35-28-14-9-8-13-27(28)34-29(35)15-5-4-10-20-33-30(36)25-11-6-7-12-26(25)32/h6-9,11-14,16-19H,4-5,10,15,20-22H2,1-3H3,(H,33,36)
InChIKeyNGCAZUNBHYZFNW-UHFFFAOYSA-N
MW501.65 g/mol
LogP6.69
Rot. Bonds11

About N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide

N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide (PubChem CID 16989987) has the molecular formula C31H36FN3O2 and a molecular weight of 501.65 g/mol. Its IUPAC name is N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
PubChem CID16989987
Molecular FormulaC31H36FN3O2
Molecular Weight501.65 g/mol
Exact Mass501.28
IUPAC NameN-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
SMILESCC(C)(C)c1ccc(OCCn2c(CCCCCNC(=O)c3ccccc3F)nc3ccccc32)cc1
InChIInChI=1S/C31H36FN3O2/c1-31(2,3)23-16-18-24(19-17-23)37-22-21-35-28-14-9-8-13-27(28)34-29(35)15-5-4-10-20-33-30(36)25-11-6-7-12-26(25)32/h6-9,11-14,16-19H,4-5,10,15,20-22H2,1-3H3,(H,33,36)
InChIKeyNGCAZUNBHYZFNW-UHFFFAOYSA-N
XLogP6.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.65
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-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

4-bromo-N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991607
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
CID 16990011
N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990473
N-[3-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983044
N-[5-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
CID 16990013
2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989479
2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983106
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975801
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 16983206
N-[5-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3,4,5-trimethoxybenzamide
CID 16991148
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 16977216

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide?
The IUPAC name of N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide (CID 16989987) is N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide is CC(C)(C)c1ccc(OCCn2c(CCCCCNC(=O)c3ccccc3F)nc3ccccc32)cc1.
What is the InChIKey of N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide?
The InChIKey is NGCAZUNBHYZFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN3O2/c1-31(2,3)23-16-18-24(19-17-23)37-22-21-35-28-14-9-8-13-27(28)34-29(35)15-5-4-10-20-33-30(36)25-11-6-7-12-26(25)32/h6-9,11-14,16-19H,4-5,10,15,20-22H2,1-3H3,(H,33,36).
What are the key properties of N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide?
N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide has a molecular weight of 501.65 g/mol, XLogP of 6.69, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide is sourced from PubChem (CID 16989987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).