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

C29H33N3O2 — CID 16991935

IUPAC4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccccc2)cc1
InChIInChI=1S/C29H33N3O2/c1-23-16-18-24(19-17-23)29(33)30-20-9-3-6-15-28-31-26-13-7-8-14-27(26)32(28)21-10-22-34-25-11-4-2-5-12-25/h2,4-5,7-8,11-14,16-19H,3,6,9-10,15,20-22H2,1H3,(H,30,33)
InChIKeyUEFNUJMJNULMHB-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.96
Rot. Bonds12

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

4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991935) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16991935
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccccc2)cc1
InChIInChI=1S/C29H33N3O2/c1-23-16-18-24(19-17-23)29(33)30-20-9-3-6-15-28-31-26-13-7-8-14-27(26)32(28)21-10-22-34-25-11-4-2-5-12-25/h2,4-5,7-8,11-14,16-19H,3,6,9-10,15,20-22H2,1H3,(H,30,33)
InChIKeyUEFNUJMJNULMHB-UHFFFAOYSA-N
XLogP5.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.96
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

4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976598
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356
N-[5-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991978
4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991936
4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991802
3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990820
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
4-bromo-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991626
3,4,5-trimethoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991144
N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976602
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988066

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide (CID 16991935) is 4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide is Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is UEFNUJMJNULMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-23-16-18-24(19-17-23)29(33)30-20-9-3-6-15-28-31-26-13-7-8-14-27(26)32(28)21-10-22-34-25-11-4-2-5-12-25/h2,4-5,7-8,11-14,16-19H,3,6,9-10,15,20-22H2,1H3,(H,30,33).
What are the key properties of 4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide?
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 5.96, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).