N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide

C23H29N3O2 — CID 16974430

IUPACN-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CCOc1cc(C)ccc1C
InChIInChI=1S/C23H29N3O2/c1-4-7-23(27)24-13-12-22-25-19-8-5-6-9-20(19)26(22)14-15-28-21-16-17(2)10-11-18(21)3/h5-6,8-11,16H,4,7,12-15H2,1-3H3,(H,24,27)
InChIKeyDDWZFDVHLKJBDU-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.19
Rot. Bonds9

About N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide

N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16974430) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID16974430
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CCOc1cc(C)ccc1C
InChIInChI=1S/C23H29N3O2/c1-4-7-23(27)24-13-12-22-25-19-8-5-6-9-20(19)26(22)14-15-28-21-16-17(2)10-11-18(21)3/h5-6,8-11,16H,4,7,12-15H2,1-3H3,(H,24,27)
InChIKeyDDWZFDVHLKJBDU-UHFFFAOYSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978656
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988186
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978605
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979605
2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978654
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974426
N-[2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979146
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988241
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978268
N-[3-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981444
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide (CID 16974430) is N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide is CCCC(=O)NCCc1nc2ccccc2n1CCOc1cc(C)ccc1C.
What is the InChIKey of N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is DDWZFDVHLKJBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-7-23(27)24-13-12-22-25-19-8-5-6-9-20(19)26(22)14-15-28-21-16-17(2)10-11-18(21)3/h5-6,8-11,16H,4,7,12-15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 379.50 g/mol, XLogP of 4.19, 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-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16974430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).