2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide

C26H35N3O — CID 16993490

IUPAC2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
SMILESCCCCCn1c(CCCCCNC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C26H35N3O/c1-3-4-12-19-29-24-16-10-9-15-23(24)28-25(29)17-6-5-11-18-27-26(30)20-22-14-8-7-13-21(22)2/h7-10,13-16H,3-6,11-12,17-20H2,1-2H3,(H,27,30)
InChIKeyCTJCXSZCJKOHPI-UHFFFAOYSA-N
MW405.59 g/mol
LogP5.61
Rot. Bonds12

About 2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide

2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide (PubChem CID 16993490) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
PubChem CID16993490
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
SMILESCCCCCn1c(CCCCCNC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C26H35N3O/c1-3-4-12-19-29-24-16-10-9-15-23(24)28-25(29)17-6-5-11-18-27-26(30)20-22-14-8-7-13-21(22)2/h7-10,13-16H,3-6,11-12,17-20H2,1-2H3,(H,27,30)
InChIKeyCTJCXSZCJKOHPI-UHFFFAOYSA-N
XLogP5.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.61
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-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979081
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979073
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993525
2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993655
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993574
2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
CID 16985199
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide (CID 16993490) is 2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide is CCCCCn1c(CCCCCNC(=O)Cc2ccccc2C)nc2ccccc21.
What is the InChIKey of 2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide?
The InChIKey is CTJCXSZCJKOHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-3-4-12-19-29-24-16-10-9-15-23(24)28-25(29)17-6-5-11-18-27-26(30)20-22-14-8-7-13-21(22)2/h7-10,13-16H,3-6,11-12,17-20H2,1-2H3,(H,27,30).
What are the key properties of 2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide?
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide has a molecular weight of 405.59 g/mol, XLogP of 5.61, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide is sourced from PubChem (CID 16993490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).