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

C26H35N3O2 — CID 16969371

IUPACN-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H35N3O2/c1-18(27-24(30)26(5,6)7)23-28-21-10-8-9-11-22(21)29(23)16-17-31-20-14-12-19(13-15-20)25(2,3)4/h8-15,18H,16-17H2,1-7H3,(H,27,30)
InChIKeyVDBXQPDCZJIOGN-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.64
Rot. Bonds6

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

N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 16969371) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID16969371
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H35N3O2/c1-18(27-24(30)26(5,6)7)23-28-21-10-8-9-11-22(21)29(23)16-17-31-20-14-12-19(13-15-20)25(2,3)4/h8-15,18H,16-17H2,1-7H3,(H,27,30)
InChIKeyVDBXQPDCZJIOGN-UHFFFAOYSA-N
XLogP5.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969366
N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969370
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373
2,2-dimethyl-N-[1-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16969396
N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969422
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966730
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967527
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010157
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide
CID 17010475
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009740
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970226
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967582

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (CID 16969371) is N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is VDBXQPDCZJIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-18(27-24(30)26(5,6)7)23-28-21-10-8-9-11-22(21)29(23)16-17-31-20-14-12-19(13-15-20)25(2,3)4/h8-15,18H,16-17H2,1-7H3,(H,27,30).
What are the key properties of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 421.59 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16969371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).