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

C23H19Cl2N3O2 — CID 51066936

IUPAC2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(Cc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C23H19Cl2N3O2/c1-30-17-9-7-16(8-10-17)26-23(29)14-28-21-5-3-2-4-20(21)27-22(28)13-15-6-11-18(24)19(25)12-15/h2-12H,13-14H2,1H3,(H,26,29)
InChIKeyLCDZWUMRKRHDQJ-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.58
Rot. Bonds6

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

2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 51066936) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID51066936
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC Name2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(Cc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C23H19Cl2N3O2/c1-30-17-9-7-16(8-10-17)26-23(29)14-28-21-5-3-2-4-20(21)27-22(28)13-15-6-11-18(24)19(25)12-15/h2-12H,13-14H2,1H3,(H,26,29)
InChIKeyLCDZWUMRKRHDQJ-UHFFFAOYSA-N
XLogP5.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide
CID 51066958
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032658
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032560
3-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide
CID 51066923
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032573
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide
CID 1486493

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide (CID 51066936) is 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(Cc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is LCDZWUMRKRHDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c1-30-17-9-7-16(8-10-17)26-23(29)14-28-21-5-3-2-4-20(21)27-22(28)13-15-6-11-18(24)19(25)12-15/h2-12H,13-14H2,1H3,(H,26,29).
What are the key properties of 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 440.33 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 51066936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).