N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide

C29H33N3O2 — CID 16967268

IUPACN-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCCOc2ccc(C)cc2C)cc1
InChIInChI=1S/C29H33N3O2/c1-20-11-14-24(15-12-20)29(33)30-23(4)28-31-25-9-5-6-10-26(25)32(28)17-7-8-18-34-27-16-13-21(2)19-22(27)3/h5-6,9-16,19,23H,7-8,17-18H2,1-4H3,(H,30,33)
InChIKeyUWFGONONWRWWPL-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.31
Rot. Bonds9

About N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide

N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (PubChem CID 16967268) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
PubChem CID16967268
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCCOc2ccc(C)cc2C)cc1
InChIInChI=1S/C29H33N3O2/c1-20-11-14-24(15-12-20)29(33)30-23(4)28-31-25-9-5-6-10-26(25)32(28)17-7-8-18-34-27-16-13-21(2)19-22(27)3/h5-6,9-16,19,23H,7-8,17-18H2,1-4H3,(H,30,33)
InChIKeyUWFGONONWRWWPL-UHFFFAOYSA-N
XLogP6.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.31
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-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009723
N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967407
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969258
N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009822
4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967216
4-bromo-N-[1-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009411
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
4-methyl-N-[1-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967273
4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009690
3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010037
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967222

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (CID 16967268) is N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCCCOc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The InChIKey is UWFGONONWRWWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-20-11-14-24(15-12-20)29(33)30-23(4)28-31-25-9-5-6-10-26(25)32(28)17-7-8-18-34-27-16-13-21(2)19-22(27)3/h5-6,9-16,19,23H,7-8,17-18H2,1-4H3,(H,30,33).
What are the key properties of N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide has a molecular weight of 455.60 g/mol, XLogP of 6.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 16967268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).