2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide

C25H23Cl2N3O — CID 134133207

IUPAC2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCc1ccc(C(C)C)cc1NC(=O)Cn1c(-c2cc(Cl)ccc2Cl)nc2ccccc21
InChIInChI=1S/C25H23Cl2N3O/c1-15(2)17-9-8-16(3)22(12-17)28-24(31)14-30-23-7-5-4-6-21(23)29-25(30)19-13-18(26)10-11-20(19)27/h4-13,15H,14H2,1-3H3,(H,28,31)
InChIKeyULPSCLGAEIYWMA-UHFFFAOYSA-N
MW452.39 g/mol
LogP7.08
Rot. Bonds5

About 2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide

2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide (PubChem CID 134133207) has the molecular formula C25H23Cl2N3O and a molecular weight of 452.39 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide
PubChem CID134133207
Molecular FormulaC25H23Cl2N3O
Molecular Weight452.39 g/mol
Exact Mass451.12
IUPAC Name2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCc1ccc(C(C)C)cc1NC(=O)Cn1c(-c2cc(Cl)ccc2Cl)nc2ccccc21
InChIInChI=1S/C25H23Cl2N3O/c1-15(2)17-9-8-16(3)22(12-17)28-24(31)14-30-23-7-5-4-6-21(23)29-25(30)19-13-18(26)10-11-20(19)27/h4-13,15H,14H2,1-3H3,(H,28,31)
InChIKeyULPSCLGAEIYWMA-UHFFFAOYSA-N
XLogP7.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.39
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284672
3-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129392
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46288978
N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171471
N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
CID 17033158
N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 5252722
N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 17032773
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 17033179
N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
CID 26703232
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide (CID 134133207) is 2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide is Cc1ccc(C(C)C)cc1NC(=O)Cn1c(-c2cc(Cl)ccc2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide?
The InChIKey is ULPSCLGAEIYWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O/c1-15(2)17-9-8-16(3)22(12-17)28-24(31)14-30-23-7-5-4-6-21(23)29-25(30)19-13-18(26)10-11-20(19)27/h4-13,15H,14H2,1-3H3,(H,28,31).
What are the key properties of 2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide?
2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide has a molecular weight of 452.39 g/mol, XLogP of 7.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 134133207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).