4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide

C26H27N3O2 — CID 16967236

IUPAC4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCOc2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c1-19-13-15-21(16-14-19)26(30)27-20(2)25-28-23-11-6-7-12-24(23)29(25)17-8-18-31-22-9-4-3-5-10-22/h3-7,9-16,20H,8,17-18H2,1-2H3,(H,27,30)
InChIKeyCSXAUCBFQLBPDS-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.30
Rot. Bonds8

About 4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide

4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967236) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16967236
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCOc2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c1-19-13-15-21(16-14-19)26(30)27-20(2)25-28-23-11-6-7-12-24(23)29(25)17-8-18-31-22-9-4-3-5-10-22/h3-7,9-16,20H,8,17-18H2,1-2H3,(H,27,30)
InChIKeyCSXAUCBFQLBPDS-UHFFFAOYSA-N
XLogP5.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.30
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

N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965467
3-methyl-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967105
3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010498
3,4,5-trimethoxy-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009864
4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967208
N-[1-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965453
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009740
2-methyl-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970194
N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009738

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide (CID 16967236) is 4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCOc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is CSXAUCBFQLBPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-13-15-21(16-14-19)26(30)27-20(2)25-28-23-11-6-7-12-24(23)29(25)17-8-18-31-22-9-4-3-5-10-22/h3-7,9-16,20H,8,17-18H2,1-2H3,(H,27,30).
What are the key properties of 4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide?
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).