N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide

C25H33N3O2 — CID 16974448

IUPACN-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H33N3O2/c1-5-8-24(29)26-16-15-23-27-21-9-6-7-10-22(21)28(23)17-18-30-20-13-11-19(12-14-20)25(2,3)4/h6-7,9-14H,5,8,15-18H2,1-4H3,(H,26,29)
InChIKeyGSWTWKNFPPKPMR-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.87
Rot. Bonds9

About N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide

N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16974448) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID16974448
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H33N3O2/c1-5-8-24(29)26-16-15-23-27-21-9-6-7-10-22(21)28(23)17-18-30-20-13-11-19(12-14-20)25(2,3)4/h6-7,9-14H,5,8,15-18H2,1-4H3,(H,26,29)
InChIKeyGSWTWKNFPPKPMR-UHFFFAOYSA-N
XLogP4.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974426
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978316
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979947
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975206
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
N-[2-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974216
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979785
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975801
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985901
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974430
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988237
N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988292

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide (CID 16974448) is N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide is CCCC(=O)NCCc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is GSWTWKNFPPKPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-5-8-24(29)26-16-15-23-27-21-9-6-7-10-22(21)28(23)17-18-30-20-13-11-19(12-14-20)25(2,3)4/h6-7,9-14H,5,8,15-18H2,1-4H3,(H,26,29).
What are the key properties of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 407.56 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16974448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).