2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide

C20H22ClN3O2 — CID 17033120

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-2-26-13-5-12-22-19(25)14-24-18-7-4-3-6-17(18)23-20(24)15-8-10-16(21)11-9-15/h3-4,6-11H,2,5,12-14H2,1H3,(H,22,25)
InChIKeyMAISZVBJZXZZIO-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.90
Rot. Bonds8

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide (PubChem CID 17033120) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
PubChem CID17033120
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-2-26-13-5-12-22-19(25)14-24-18-7-4-3-6-17(18)23-20(24)15-8-10-16(21)11-9-15/h3-4,6-11H,2,5,12-14H2,1H3,(H,22,25)
InChIKeyMAISZVBJZXZZIO-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.90
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

4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030905
N-(3-ethoxypropyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51253387
N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032388
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010
N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
CID 17033158
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 17032534
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17033154
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide (CID 17033120) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide?
The InChIKey is MAISZVBJZXZZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-26-13-5-12-22-19(25)14-24-18-7-4-3-6-17(18)23-20(24)15-8-10-16(21)11-9-15/h3-4,6-11H,2,5,12-14H2,1H3,(H,22,25).
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide has a molecular weight of 371.87 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 17033120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).