2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide

C21H24ClN3O — CID 16993804

IUPAC2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
SMILESCn1c(CCCCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H24ClN3O/c1-25-19-8-5-4-7-18(19)24-20(25)9-3-2-6-14-23-21(26)15-16-10-12-17(22)13-11-16/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,23,26)
InChIKeyFTZQTKDQTXMUOO-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.30
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide

2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide (PubChem CID 16993804) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
PubChem CID16993804
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
SMILESCn1c(CCCCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H24ClN3O/c1-25-19-8-5-4-7-18(19)24-20(25)9-3-2-6-14-23-21(26)15-16-10-12-17(22)13-11-16/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,23,26)
InChIKeyFTZQTKDQTXMUOO-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.30
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-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993642
2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993813
2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993844
2-(4-chlorophenyl)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993862
2-(4-chlorophenyl)-N-[5-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993909
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402
N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-chlorophenyl)acetamide
CID 16993865
2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993877
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-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide (CID 16993804) is 2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide is Cn1c(CCCCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide?
The InChIKey is FTZQTKDQTXMUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-25-19-8-5-4-7-18(19)24-20(25)9-3-2-6-14-23-21(26)15-16-10-12-17(22)13-11-16/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide?
2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide has a molecular weight of 369.90 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide is sourced from PubChem (CID 16993804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).