N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide

C25H33N3O2 — CID 16969053

IUPACN-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)c1nc2ccccc2n1CCOc1c(C)cccc1C
InChIInChI=1S/C25H33N3O2/c1-6-20(7-2)25(29)26-19(5)24-27-21-13-8-9-14-22(21)28(24)15-16-30-23-17(3)11-10-12-18(23)4/h8-14,19-20H,6-7,15-16H2,1-5H3,(H,26,29)
InChIKeyZNELHRFCUCPUQQ-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.35
Rot. Bonds9

About N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide

N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide (PubChem CID 16969053) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
PubChem CID16969053
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)c1nc2ccccc2n1CCOc1c(C)cccc1C
InChIInChI=1S/C25H33N3O2/c1-6-20(7-2)25(29)26-19(5)24-27-21-13-8-9-14-22(21)28(24)15-16-30-23-17(3)11-10-12-18(23)4/h8-14,19-20H,6-7,15-16H2,1-5H3,(H,26,29)
InChIKeyZNELHRFCUCPUQQ-UHFFFAOYSA-N
XLogP5.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967510
2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969055
2-ethyl-N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969072
N-[1-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16969089
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
2-ethyl-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969122
N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967564
N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970208
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002
2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969046
4-chloro-N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009562

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide (CID 16969053) is N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NC(C)c1nc2ccccc2n1CCOc1c(C)cccc1C.
What is the InChIKey of N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?
The InChIKey is ZNELHRFCUCPUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-6-20(7-2)25(29)26-19(5)24-27-21-13-8-9-14-22(21)28(24)15-16-30-23-17(3)11-10-12-18(23)4/h8-14,19-20H,6-7,15-16H2,1-5H3,(H,26,29).
What are the key properties of N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide has a molecular weight of 407.56 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 16969053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).