N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide

C19H19Cl2N3O — CID 17033158

IUPACN-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C19H19Cl2N3O/c1-2-3-10-22-18(25)12-24-17-7-5-4-6-16(17)23-19(24)14-9-8-13(20)11-15(14)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)
InChIKeyRQVJFUAQJNGMAP-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.93
Rot. Bonds6

About N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide

N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 17033158) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
PubChem CID17033158
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC NameN-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C19H19Cl2N3O/c1-2-3-10-22-18(25)12-24-17-7-5-4-6-16(17)23-19(24)14-9-8-13(20)11-15(14)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)
InChIKeyRQVJFUAQJNGMAP-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.93
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-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 17033179
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16987815
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 106861835
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033393
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16987816
N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 17032773
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17002185

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide (CID 17033158) is N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide is CCCCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21.
What is the InChIKey of N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is RQVJFUAQJNGMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-2-3-10-22-18(25)12-24-17-7-5-4-6-16(17)23-19(24)14-9-8-13(20)11-15(14)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,25).
What are the key properties of N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide?
N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 376.29 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17033158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).