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

C21H25N3O2 — CID 16974426

IUPACN-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-2-8-21(25)22-14-13-20-23-18-11-6-7-12-19(18)24(20)15-16-26-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,22,25)
InChIKeyDJMBTHCTXLNYIJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.57
Rot. Bonds9

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

N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16974426) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
PubChem CID16974426
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-2-8-21(25)22-14-13-20-23-18-11-6-7-12-19(18)24(20)15-16-26-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,22,25)
InChIKeyDJMBTHCTXLNYIJ-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974448
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974430
2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980411
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
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
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974464
N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
CID 16981184
N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide
CID 16981220

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide (CID 16974426) is N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide is CCCC(=O)NCCc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is DJMBTHCTXLNYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-8-21(25)22-14-13-20-23-18-11-6-7-12-19(18)24(20)15-16-26-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,22,25).
What are the key properties of N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide?
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 351.45 g/mol, XLogP of 3.57, 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-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16974426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).