N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide

C30H35N3O3 — CID 16991275

IUPACN-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C30H35N3O3/c1-22-19-23(2)21-26(20-22)36-18-17-33-28-10-7-6-9-27(28)32-29(33)11-5-4-8-16-31-30(34)24-12-14-25(35-3)15-13-24/h6-7,9-10,12-15,19-21H,4-5,8,11,16-18H2,1-3H3,(H,31,34)
InChIKeyWVGNOWKQMWUFEZ-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.88
Rot. Bonds12

About N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide

N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide (PubChem CID 16991275) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
PubChem CID16991275
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC NameN-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C30H35N3O3/c1-22-19-23(2)21-26(20-22)36-18-17-33-28-10-7-6-9-27(28)32-29(33)11-5-4-8-16-31-30(34)24-12-14-25(35-3)15-13-24/h6-7,9-10,12-15,19-21H,4-5,8,11,16-18H2,1-3H3,(H,31,34)
InChIKeyWVGNOWKQMWUFEZ-UHFFFAOYSA-N
XLogP5.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.88
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-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991315
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994029
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
4-bromo-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991626
3,4-dimethoxy-N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990960
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
CID 16988359
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990313
4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991286
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
The IUPAC name of N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide (CID 16991275) is N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
The InChIKey is WVGNOWKQMWUFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-22-19-23(2)21-26(20-22)36-18-17-33-28-10-7-6-9-27(28)32-29(33)11-5-4-8-16-31-30(34)24-12-14-25(35-3)15-13-24/h6-7,9-10,12-15,19-21H,4-5,8,11,16-18H2,1-3H3,(H,31,34).
What are the key properties of N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide has a molecular weight of 485.63 g/mol, XLogP of 5.88, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide is sourced from PubChem (CID 16991275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).