N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

C21H23Cl2N3O — CID 16987846

IUPACN-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
SMILESCC(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H23Cl2N3O/c1-15(27)24-12-6-2-3-9-21-25-19-7-4-5-8-20(19)26(21)14-16-10-11-17(22)18(23)13-16/h4-5,7-8,10-11,13H,2-3,6,9,12,14H2,1H3,(H,24,27)
InChIKeyARNRRNKUEOYAKA-UHFFFAOYSA-N
MW404.34 g/mol
LogP5.24
Rot. Bonds8

About N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide

N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16987846) has the molecular formula C21H23Cl2N3O and a molecular weight of 404.34 g/mol. Its IUPAC name is N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
PubChem CID16987846
Molecular FormulaC21H23Cl2N3O
Molecular Weight404.34 g/mol
Exact Mass403.12
IUPAC NameN-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
SMILESCC(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H23Cl2N3O/c1-15(27)24-12-6-2-3-9-21-25-19-7-4-5-8-20(19)26(21)14-16-10-11-17(22)18(23)13-16/h4-5,7-8,10-11,13H,2-3,6,9,12,14H2,1H3,(H,24,27)
InChIKeyARNRRNKUEOYAKA-UHFFFAOYSA-N
XLogP5.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.34
LogP ≤ 55.24
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-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993675
N-[3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981428
3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3160745
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738
2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide
CID 16988663
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974153
2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979261
N-[5-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987931
2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992370
2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993844
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310
(E)-N-[5-(1-benzylbenzimidazol-2-yl)pentyl]but-2-enamide
CID 16992042

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide (CID 16987846) is N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is ARNRRNKUEOYAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O/c1-15(27)24-12-6-2-3-9-21-25-19-7-4-5-8-20(19)26(21)14-16-10-11-17(22)18(23)13-16/h4-5,7-8,10-11,13H,2-3,6,9,12,14H2,1H3,(H,24,27).
What are the key properties of N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide?
N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 404.34 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16987846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).