3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide

C28H31N3O3 — CID 16978161

IUPAC3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2nc3ccccc3n2CCCCOc2ccccc2C)c1
InChIInChI=1S/C28H31N3O3/c1-21-10-3-6-15-26(21)34-19-8-7-18-31-25-14-5-4-13-24(25)30-27(31)16-17-29-28(32)22-11-9-12-23(20-22)33-2/h3-6,9-15,20H,7-8,16-19H2,1-2H3,(H,29,32)
InChIKeyAILOGOKLVXZYPE-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.19
Rot. Bonds11

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

3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16978161) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16978161
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2nc3ccccc3n2CCCCOc2ccccc2C)c1
InChIInChI=1S/C28H31N3O3/c1-21-10-3-6-15-26(21)34-19-8-7-18-31-25-14-5-4-13-24(25)30-27(31)16-17-29-28(32)22-11-9-12-23(20-22)33-2/h3-6,9-15,20H,7-8,16-19H2,1-2H3,(H,29,32)
InChIKeyAILOGOKLVXZYPE-UHFFFAOYSA-N
XLogP5.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.19
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

3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983734
3-methoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978144
N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 16978147
3,4,5-trimethoxy-N-[2-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977045
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975792
3-methoxy-N-[2-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978171
N-[2-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976774
N-[2-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 16977075
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983711
3-bromo-N-[5-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990669
N-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977648
3-methoxy-N-[5-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990838

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (CID 16978161) is 3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is COc1cccc(C(=O)NCCc2nc3ccccc3n2CCCCOc2ccccc2C)c1.
What is the InChIKey of 3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is AILOGOKLVXZYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-21-10-3-6-15-26(21)34-19-8-7-18-31-25-14-5-4-13-24(25)30-27(31)16-17-29-28(32)22-11-9-12-23(20-22)33-2/h3-6,9-15,20H,7-8,16-19H2,1-2H3,(H,29,32).
What are the key properties of 3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 457.57 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16978161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).