2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide

C28H38ClN3O — CID 16993655

IUPAC2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
SMILESCCCCCCCCn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C28H38ClN3O/c1-2-3-4-5-6-14-21-32-26-18-12-11-17-25(26)31-27(32)19-8-7-13-20-30-28(33)22-23-15-9-10-16-24(23)29/h9-12,15-18H,2-8,13-14,19-22H2,1H3,(H,30,33)
InChIKeyTZFHZHKHDSJDMM-UHFFFAOYSA-N
MW468.09 g/mol
LogP7.12
Rot. Bonds15

About 2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide

2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide (PubChem CID 16993655) has the molecular formula C28H38ClN3O and a molecular weight of 468.09 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
PubChem CID16993655
Molecular FormulaC28H38ClN3O
Molecular Weight468.09 g/mol
Exact Mass467.27
IUPAC Name2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
SMILESCCCCCCCCn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C28H38ClN3O/c1-2-3-4-5-6-14-21-32-26-18-12-11-17-25(26)31-27(32)19-8-7-13-20-30-28(33)22-23-15-9-10-16-24(23)29/h9-12,15-18H,2-8,13-14,19-22H2,1H3,(H,30,33)
InChIKeyTZFHZHKHDSJDMM-UHFFFAOYSA-N
XLogP7.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.09
LogP ≤ 57.12
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

2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
CID 16985199
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993644
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229
2-(2-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993642
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
2-(2-chlorophenyl)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993766
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993774
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide (CID 16993655) is 2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide is CCCCCCCCn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide?
The InChIKey is TZFHZHKHDSJDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38ClN3O/c1-2-3-4-5-6-14-21-32-26-18-12-11-17-25(26)31-27(32)19-8-7-13-20-30-28(33)22-23-15-9-10-16-24(23)29/h9-12,15-18H,2-8,13-14,19-22H2,1H3,(H,30,33).
What are the key properties of 2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide?
2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide has a molecular weight of 468.09 g/mol, XLogP of 7.12, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide is sourced from PubChem (CID 16993655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).