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

C28H31N3O2 — CID 16975810

IUPACN-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(OCCCCn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C28H31N3O2/c1-21-14-15-26(22(2)20-21)33-19-9-8-18-31-25-13-7-6-12-24(25)30-27(31)16-17-29-28(32)23-10-4-3-5-11-23/h3-7,10-15,20H,8-9,16-19H2,1-2H3,(H,29,32)
InChIKeyKHMYBSABJJJNQJ-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.48
Rot. Bonds10

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

N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16975810) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16975810
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(OCCCCn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C28H31N3O2/c1-21-14-15-26(22(2)20-21)33-19-9-8-18-31-25-13-7-6-12-24(25)30-27(31)16-17-29-28(32)23-10-4-3-5-11-23/h3-7,10-15,20H,8-9,16-19H2,1-2H3,(H,29,32)
InChIKeyKHMYBSABJJJNQJ-UHFFFAOYSA-N
XLogP5.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.48
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-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977648
N-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 16976894
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975813
N-[2-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965958
N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978543
3-bromo-N-[3-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983404
N-[3-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964498
N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976624
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991264
3-chloro-N-[2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977974
3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978161
2-(3,4-dimethoxyphenyl)-N-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979792

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (CID 16975810) is N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(OCCCCn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c(C)c1.
What is the InChIKey of N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is KHMYBSABJJJNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-21-14-15-26(22(2)20-21)33-19-9-8-18-31-25-13-7-6-12-24(25)30-27(31)16-17-29-28(32)23-10-4-3-5-11-23/h3-7,10-15,20H,8-9,16-19H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 441.58 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16975810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).