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

C25H25N3O2 — CID 17007320

IUPAC3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2CCCOc2ccccc2)c1
InChIInChI=1S/C25H25N3O2/c1-19-9-7-10-20(17-19)25(29)26-18-24-27-22-13-5-6-14-23(22)28(24)15-8-16-30-21-11-3-2-4-12-21/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,26,29)
InChIKeyJCZYIVJYAAWDCQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.74
Rot. Bonds8

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

3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007320) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17007320
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2CCCOc2ccccc2)c1
InChIInChI=1S/C25H25N3O2/c1-19-9-7-10-20(17-19)25(29)26-18-24-27-22-13-5-6-14-23(22)28(24)15-8-16-30-21-11-3-2-4-12-21/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,26,29)
InChIKeyJCZYIVJYAAWDCQ-UHFFFAOYSA-N
XLogP4.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.74
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-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007329
N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007372
N-[[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007322
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008602
3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008310
N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005993
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17008010
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide (CID 17007320) is 3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide is Cc1cccc(C(=O)NCc2nc3ccccc3n2CCCOc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is JCZYIVJYAAWDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-19-9-7-10-20(17-19)25(29)26-18-24-27-22-13-5-6-14-23(22)28(24)15-8-16-30-21-11-3-2-4-12-21/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,26,29).
What are the key properties of 3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide?
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).