N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide

C28H31N3O — CID 16993340

IUPACN-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
SMILESCc1ccccc1Cn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C28H31N3O/c1-22-12-7-8-15-24(22)21-31-26-17-10-9-16-25(26)30-27(31)18-6-3-11-19-29-28(32)20-23-13-4-2-5-14-23/h2,4-5,7-10,12-17H,3,6,11,18-21H2,1H3,(H,29,32)
InChIKeyGFRINLPLJCHOQZ-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.46
Rot. Bonds10

About N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide

N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide (PubChem CID 16993340) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
PubChem CID16993340
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC NameN-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
SMILESCc1ccccc1Cn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C28H31N3O/c1-22-12-7-8-15-24(22)21-31-26-17-10-9-16-25(26)30-27(31)18-6-3-11-19-29-28(32)20-23-13-4-2-5-14-23/h2,4-5,7-10,12-17H,3,6,11,18-21H2,1H3,(H,29,32)
InChIKeyGFRINLPLJCHOQZ-UHFFFAOYSA-N
XLogP5.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992530
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993525
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310
N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993357
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992206
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979574
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994316

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
The IUPAC name of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide (CID 16993340) is N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide is Cc1ccccc1Cn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
The InChIKey is GFRINLPLJCHOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-22-12-7-8-15-24(22)21-31-26-17-10-9-16-25(26)30-27(31)18-6-3-11-19-29-28(32)20-23-13-4-2-5-14-23/h2,4-5,7-10,12-17H,3,6,11,18-21H2,1H3,(H,29,32).
What are the key properties of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide has a molecular weight of 425.58 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide is sourced from PubChem (CID 16993340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).