2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide

C26H35N3O2 — CID 16969055

IUPAC2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NC(C)c1nc2ccccc2n1CCOc1ccccc1C(C)C
InChIInChI=1S/C26H35N3O2/c1-6-20(7-2)26(30)27-19(5)25-28-22-13-9-10-14-23(22)29(25)16-17-31-24-15-11-8-12-21(24)18(3)4/h8-15,18-20H,6-7,16-17H2,1-5H3,(H,27,30)
InChIKeyPNDVSZVKADJMFS-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.85
Rot. Bonds10

About 2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide

2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16969055) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID16969055
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NC(C)c1nc2ccccc2n1CCOc1ccccc1C(C)C
InChIInChI=1S/C26H35N3O2/c1-6-20(7-2)26(30)27-19(5)25-28-22-13-9-10-14-23(22)29(25)16-17-31-24-15-11-8-12-21(24)18(3)4/h8-15,18-20H,6-7,16-17H2,1-5H3,(H,27,30)
InChIKeyPNDVSZVKADJMFS-UHFFFAOYSA-N
XLogP5.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16969053
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973627
2-ethyl-N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969072
2-ethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981004
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963799
2-ethyl-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969122
N-[1-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16969089
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16968622
2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969046

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide (CID 16969055) is 2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide is CCC(CC)C(=O)NC(C)c1nc2ccccc2n1CCOc1ccccc1C(C)C.
What is the InChIKey of 2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is PNDVSZVKADJMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-6-20(7-2)26(30)27-19(5)25-28-22-13-9-10-14-23(22)29(25)16-17-31-24-15-11-8-12-21(24)18(3)4/h8-15,18-20H,6-7,16-17H2,1-5H3,(H,27,30).
What are the key properties of 2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 421.59 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16969055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).