2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide

C27H33ClN4O2 — CID 16993786

IUPAC2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCCCCCc1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C27H33ClN4O2/c28-22-12-5-4-11-21(22)19-26(33)29-16-8-1-3-15-25-30-23-13-6-7-14-24(23)32(25)20-27(34)31-17-9-2-10-18-31/h4-7,11-14H,1-3,8-10,15-20H2,(H,29,33)
InChIKeyKJIBTFCYVJAYSS-UHFFFAOYSA-N
MW481.04 g/mol
LogP4.77
Rot. Bonds10

About 2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide

2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993786) has the molecular formula C27H33ClN4O2 and a molecular weight of 481.04 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide
PubChem CID16993786
Molecular FormulaC27H33ClN4O2
Molecular Weight481.04 g/mol
Exact Mass480.23
IUPAC Name2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCCCCCc1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C27H33ClN4O2/c28-22-12-5-4-11-21(22)19-26(33)29-16-8-1-3-15-25-30-23-13-6-7-14-24(23)32(25)20-27(34)31-17-9-2-10-18-31/h4-7,11-14H,1-3,8-10,15-20H2,(H,29,33)
InChIKeyKJIBTFCYVJAYSS-UHFFFAOYSA-N
XLogP4.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.04
LogP ≤ 54.77
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

2-(2-chlorophenyl)-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16979371
2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993644
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993629
2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993655
2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993774
N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994918
2-(4-methoxyphenyl)-N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16985650
N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994758
N-[3-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-chlorobenzamide
CID 16983601
2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993675
2-(2-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993642
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986136

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide (CID 16993786) is 2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide is O=C(Cc1ccccc1Cl)NCCCCCc1nc2ccccc2n1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is KJIBTFCYVJAYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O2/c28-22-12-5-4-11-21(22)19-26(33)29-16-8-1-3-15-25-30-23-13-6-7-14-24(23)32(25)20-27(34)31-17-9-2-10-18-31/h4-7,11-14H,1-3,8-10,15-20H2,(H,29,33).
What are the key properties of 2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide?
2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 481.04 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).