4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide

C29H33N3O2 — CID 16991259

IUPAC4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCc2ccccc2)cc1
InChIInChI=1S/C29H33N3O2/c1-34-25-19-17-24(18-20-25)29(33)30-21-9-3-6-16-28-31-26-14-7-8-15-27(26)32(28)22-10-13-23-11-4-2-5-12-23/h2,4-5,7-8,11-12,14-15,17-20H,3,6,9-10,13,16,21-22H2,1H3,(H,30,33)
InChIKeyVDAUSZJKRZAFJY-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.82
Rot. Bonds12

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

4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991259) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16991259
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCc2ccccc2)cc1
InChIInChI=1S/C29H33N3O2/c1-34-25-19-17-24(18-20-25)29(33)30-21-9-3-6-16-28-31-26-14-7-8-15-27(26)32(28)22-10-13-23-11-4-2-5-12-23/h2,4-5,7-8,11-12,14-15,17-20H,3,6,9-10,13,16,21-22H2,1H3,(H,30,33)
InChIKeyVDAUSZJKRZAFJY-UHFFFAOYSA-N
XLogP5.82
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 ≤ 55.82
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-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984758
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991275
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278
3,4,5-trimethoxy-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991095
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991253

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide (CID 16991259) is 4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide is COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is VDAUSZJKRZAFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-34-25-19-17-24(18-20-25)29(33)30-21-9-3-6-16-28-31-26-14-7-8-15-27(26)32(28)22-10-13-23-11-4-2-5-12-23/h2,4-5,7-8,11-12,14-15,17-20H,3,6,9-10,13,16,21-22H2,1H3,(H,30,33).
What are the key properties of 4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide?
4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 5.82, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).