N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide

C20H31N3O2 — CID 16988910

IUPACN-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
SMILESCOCCn1c(CCCCCNC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C20H31N3O2/c1-20(2,3)19(24)21-13-9-5-6-12-18-22-16-10-7-8-11-17(16)23(18)14-15-25-4/h7-8,10-11H,5-6,9,12-15H2,1-4H3,(H,21,24)
InChIKeyLEHBCXFSOSDBII-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.56
Rot. Bonds9

About N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide

N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide (PubChem CID 16988910) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
PubChem CID16988910
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
SMILESCOCCn1c(CCCCCNC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C20H31N3O2/c1-20(2,3)19(24)21-13-9-5-6-12-18-22-16-10-7-8-11-17(16)23(18)14-15-25-4/h7-8,10-11H,5-6,9,12-15H2,1-4H3,(H,21,24)
InChIKeyLEHBCXFSOSDBII-UHFFFAOYSA-N
XLogP3.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.56
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-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988855
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988872
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988898
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988882
2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 4754850
2,2-dimethyl-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988839
N-[5-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988847
2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide
CID 16981462
N-[5-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988874
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964519
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981475

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide (CID 16988910) is N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide is COCCn1c(CCCCCNC(=O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
The InChIKey is LEHBCXFSOSDBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,3)19(24)21-13-9-5-6-12-18-22-16-10-7-8-11-17(16)23(18)14-15-25-4/h7-8,10-11H,5-6,9,12-15H2,1-4H3,(H,21,24).
What are the key properties of N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide?
N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16988910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).