2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide

C23H20ClN3O — CID 17033143

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H20ClN3O/c1-15-6-5-7-16(2)22(15)26-21(28)14-27-20-9-4-3-8-19(20)25-23(27)17-10-12-18(24)13-11-17/h3-13H,14H2,1-2H3,(H,26,28)
InChIKeyZQIQMJKHSPQYQK-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.61
Rot. Bonds4

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 17033143) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID17033143
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H20ClN3O/c1-15-6-5-7-16(2)22(15)26-21(28)14-27-20-9-4-3-8-19(20)25-23(27)17-10-12-18(24)13-11-17/h3-13H,14H2,1-2H3,(H,26,28)
InChIKeyZQIQMJKHSPQYQK-UHFFFAOYSA-N
XLogP5.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
2-[2-[(4-chlorophenyl)sulfanylmethyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1486623
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 17032990
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17032224
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284677
N-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide
CID 67473088

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 17033143) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is ZQIQMJKHSPQYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-15-6-5-7-16(2)22(15)26-21(28)14-27-20-9-4-3-8-19(20)25-23(27)17-10-12-18(24)13-11-17/h3-13H,14H2,1-2H3,(H,26,28).
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 389.89 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 17033143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).