3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide

C29H33N3O4 — CID 16983734

IUPAC3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCc2nc3ccccc3n2CCCCOc2ccccc2OC)c1
InChIInChI=1S/C29H33N3O4/c1-34-23-12-9-11-22(21-23)29(33)30-18-10-17-28-31-24-13-3-4-14-25(24)32(28)19-7-8-20-36-27-16-6-5-15-26(27)35-2/h3-6,9,11-16,21H,7-8,10,17-20H2,1-2H3,(H,30,33)
InChIKeyZIHKXRKGXYEHRA-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.28
Rot. Bonds13

About 3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide

3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983734) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16983734
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCc2nc3ccccc3n2CCCCOc2ccccc2OC)c1
InChIInChI=1S/C29H33N3O4/c1-34-23-12-9-11-22(21-23)29(33)30-18-10-17-28-31-24-13-3-4-14-25(24)32(28)19-7-8-20-36-27-16-6-5-15-26(27)35-2/h3-6,9,11-16,21H,7-8,10,17-20H2,1-2H3,(H,30,33)
InChIKeyZIHKXRKGXYEHRA-UHFFFAOYSA-N
XLogP5.28
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978161
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983711
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983745
3-methoxy-N-[5-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990838
3-methoxy-N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978171
3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983688
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990299
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
4-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984633
3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990820
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983900
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide (CID 16983734) is 3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide is COc1cccc(C(=O)NCCCc2nc3ccccc3n2CCCCOc2ccccc2OC)c1.
What is the InChIKey of 3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is ZIHKXRKGXYEHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-34-23-12-9-11-22(21-23)29(33)30-18-10-17-28-31-24-13-3-4-14-25(24)32(28)19-7-8-20-36-27-16-6-5-15-26(27)35-2/h3-6,9,11-16,21H,7-8,10,17-20H2,1-2H3,(H,30,33).
What are the key properties of 3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide?
3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 487.60 g/mol, XLogP of 5.28, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).