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

C23H20ClN3O3 — CID 17032990

IUPACN-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C23H20ClN3O3/c1-29-20-12-7-15(13-21(20)30-2)23-26-18-5-3-4-6-19(18)27(23)14-22(28)25-17-10-8-16(24)9-11-17/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyWZLLOQIZMZFOKH-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.01
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide (PubChem CID 17032990) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
PubChem CID17032990
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC NameN-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C23H20ClN3O3/c1-29-20-12-7-15(13-21(20)30-2)23-26-18-5-3-4-6-19(18)27(23)14-22(28)25-17-10-8-16(24)9-11-17/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyWZLLOQIZMZFOKH-UHFFFAOYSA-N
XLogP5.01
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17032986
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033004
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 17033006
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
CID 612046

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide (CID 17032990) is N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide is COc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is WZLLOQIZMZFOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-29-20-12-7-15(13-21(20)30-2)23-26-18-5-3-4-6-19(18)27(23)14-22(28)25-17-10-8-16(24)9-11-17/h3-13H,14H2,1-2H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 421.88 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17032990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).