N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide

C28H39N3O2 — CID 16988882

IUPACN-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
SMILESCCc1ccc(OCCCn2c(CCCCCNC(=O)C(C)(C)C)nc3ccccc32)cc1
InChIInChI=1S/C28H39N3O2/c1-5-22-15-17-23(18-16-22)33-21-11-20-31-25-13-9-8-12-24(25)30-26(31)14-7-6-10-19-29-27(32)28(2,3)4/h8-9,12-13,15-18H,5-7,10-11,14,19-21H2,1-4H3,(H,29,32)
InChIKeyYQOUAAQJFKIQAL-UHFFFAOYSA-N
MW449.64 g/mol
LogP5.94
Rot. Bonds12

About N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide

N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide (PubChem CID 16988882) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
PubChem CID16988882
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC NameN-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
SMILESCCc1ccc(OCCCn2c(CCCCCNC(=O)C(C)(C)C)nc3ccccc32)cc1
InChIInChI=1S/C28H39N3O2/c1-5-22-15-17-23(18-16-22)33-21-11-20-31-25-13-9-8-12-24(25)30-26(31)14-7-6-10-19-29-27(32)28(2,3)4/h8-9,12-13,15-18H,5-7,10-11,14,19-21H2,1-4H3,(H,29,32)
InChIKeyYQOUAAQJFKIQAL-UHFFFAOYSA-N
XLogP5.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988720
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988234
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988872
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969576
(E)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992146
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
CID 3160758
N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986959
N-[5-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988874
4-chloro-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991498
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981475
2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 4754850

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide (CID 16988882) is N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide is CCc1ccc(OCCCn2c(CCCCCNC(=O)C(C)(C)C)nc3ccccc32)cc1.
What is the InChIKey of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
The InChIKey is YQOUAAQJFKIQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-5-22-15-17-23(18-16-22)33-21-11-20-31-25-13-9-8-12-24(25)30-26(31)14-7-6-10-19-29-27(32)28(2,3)4/h8-9,12-13,15-18H,5-7,10-11,14,19-21H2,1-4H3,(H,29,32).
What are the key properties of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide has a molecular weight of 449.64 g/mol, XLogP of 5.94, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16988882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).