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

C28H31N3O3 — CID 16967274

IUPACN-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCOc1ccccc1OCCCCn1c(C(C)NC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C28H31N3O3/c1-20-14-16-22(17-15-20)28(32)29-21(2)27-30-23-10-4-5-11-24(23)31(27)18-8-9-19-34-26-13-7-6-12-25(26)33-3/h4-7,10-17,21H,8-9,18-19H2,1-3H3,(H,29,32)
InChIKeyNVZTWFLMPADTAR-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.70
Rot. Bonds10

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

N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (PubChem CID 16967274) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
PubChem CID16967274
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCOc1ccccc1OCCCCn1c(C(C)NC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C28H31N3O3/c1-20-14-16-22(17-15-20)28(32)29-21(2)27-30-23-10-4-5-11-24(23)31(27)18-8-9-19-34-26-13-7-6-12-25(26)33-3/h4-7,10-17,21H,8-9,18-19H2,1-3H3,(H,29,32)
InChIKeyNVZTWFLMPADTAR-UHFFFAOYSA-N
XLogP5.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.70
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

3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010037
2-methoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16968045
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268
4-methyl-N-[1-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967273
N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009723
4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009725
4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009690
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967407
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967222
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973684
3,4,5-trimethoxy-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009864

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (CID 16967274) is N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is COc1ccccc1OCCCCn1c(C(C)NC(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The InChIKey is NVZTWFLMPADTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-20-14-16-22(17-15-20)28(32)29-21(2)27-30-23-10-4-5-11-24(23)31(27)18-8-9-19-34-26-13-7-6-12-25(26)33-3/h4-7,10-17,21H,8-9,18-19H2,1-3H3,(H,29,32).
What are the key properties of N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide has a molecular weight of 457.57 g/mol, XLogP of 5.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 16967274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).