3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide

C30H35N3O2 — CID 16990344

IUPAC3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2ccccc2)c1
InChIInChI=1S/C30H35N3O2/c1-24-13-12-14-25(23-24)30(34)31-20-9-3-6-19-29-32-27-17-7-8-18-28(27)33(29)21-10-11-22-35-26-15-4-2-5-16-26/h2,4-5,7-8,12-18,23H,3,6,9-11,19-22H2,1H3,(H,31,34)
InChIKeyIMJGLVYZPGLTMR-UHFFFAOYSA-N
MW469.63 g/mol
LogP6.35
Rot. Bonds13

About 3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide

3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990344) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16990344
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2ccccc2)c1
InChIInChI=1S/C30H35N3O2/c1-24-13-12-14-25(23-24)30(34)31-20-9-3-6-19-29-32-27-17-7-8-18-28(27)33(29)21-10-11-22-35-26-15-4-2-5-16-26/h2,4-5,7-8,12-18,23H,3,6,9-11,19-22H2,1H3,(H,31,34)
InChIKeyIMJGLVYZPGLTMR-UHFFFAOYSA-N
XLogP6.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 56.35
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-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990335
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990313
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990820
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259
3-chloro-N-[5-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990522
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990293
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992920
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990299
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 16983206

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide (CID 16990344) is 3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide is Cc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCCCOc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is IMJGLVYZPGLTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-24-13-12-14-25(23-24)30(34)31-20-9-3-6-19-29-32-27-17-7-8-18-28(27)33(29)21-10-11-22-35-26-15-4-2-5-16-26/h2,4-5,7-8,12-18,23H,3,6,9-11,19-22H2,1H3,(H,31,34).
What are the key properties of 3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide?
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 469.63 g/mol, XLogP of 6.35, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).