4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide

C32H33N3O3 — CID 16991286

IUPAC4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cccc3ccccc23)cc1
InChIInChI=1S/C32H33N3O3/c1-37-26-19-17-25(18-20-26)32(36)33-21-8-2-3-16-31-34-28-13-6-7-14-29(28)35(31)22-23-38-30-15-9-11-24-10-4-5-12-27(24)30/h4-7,9-15,17-20H,2-3,8,16,21-23H2,1H3,(H,33,36)
InChIKeyITYZOESPOCECFH-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.42
Rot. Bonds12

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

4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991286) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is 4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16991286
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC Name4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cccc3ccccc23)cc1
InChIInChI=1S/C32H33N3O3/c1-37-26-19-17-25(18-20-26)32(36)33-21-8-2-3-16-31-34-28-13-6-7-14-29(28)35(31)22-23-38-30-15-9-11-24-10-4-5-12-27(24)30/h4-7,9-15,17-20H,2-3,8,16,21-23H2,1H3,(H,33,36)
InChIKeyITYZOESPOCECFH-UHFFFAOYSA-N
XLogP6.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991264
3,4-dimethoxy-N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990960
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991315
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
4-methoxy-N-[5-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991295
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984458
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990299
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-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide (CID 16991286) is 4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide is COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cccc3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is ITYZOESPOCECFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c1-37-26-19-17-25(18-20-26)32(36)33-21-8-2-3-16-31-34-28-13-6-7-14-29(28)35(31)22-23-38-30-15-9-11-24-10-4-5-12-27(24)30/h4-7,9-15,17-20H,2-3,8,16,21-23H2,1H3,(H,33,36).
What are the key properties of 4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide?
4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 507.63 g/mol, XLogP of 6.42, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).