N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide

C21H25N3O2 — CID 17005993

IUPACN-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CCCCOc1cccc(C)c1
InChIInChI=1S/C21H25N3O2/c1-16-8-7-9-18(14-16)26-13-6-5-12-24-20-11-4-3-10-19(20)23-21(24)15-22-17(2)25/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,22,25)
InChIKeyIAZPUZVRATWVRQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.84
Rot. Bonds8

About N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide

N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide (PubChem CID 17005993) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
PubChem CID17005993
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CCCCOc1cccc(C)c1
InChIInChI=1S/C21H25N3O2/c1-16-8-7-9-18(14-16)26-13-6-5-12-24-20-11-4-3-10-19(20)23-21(24)15-22-17(2)25/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,22,25)
InChIKeyIAZPUZVRATWVRQ-UHFFFAOYSA-N
XLogP3.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
2-fluoro-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007843
N-[[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]methyl]acetamide
CID 17005978
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972415
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987872
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
2-ethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006406
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008602
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006302

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide (CID 17005993) is N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide is CC(=O)NCc1nc2ccccc2n1CCCCOc1cccc(C)c1.
What is the InChIKey of N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
The InChIKey is IAZPUZVRATWVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-8-7-9-18(14-16)26-13-6-5-12-24-20-11-4-3-10-19(20)23-21(24)15-22-17(2)25/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3,(H,22,25).
What are the key properties of N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide?
N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 17005993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).