2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide

C23H21N3O — CID 17032346

IUPAC2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C23H21N3O/c1-17-9-5-6-12-19(17)25-23(27)16-26-21-14-8-7-13-20(21)24-22(26)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyZOMRGOCAGYIMKI-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.57
Rot. Bonds5

About 2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide

2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide (PubChem CID 17032346) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide
PubChem CID17032346
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C23H21N3O/c1-17-9-5-6-12-19(17)25-23(27)16-26-21-14-8-7-13-20(21)24-22(26)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyZOMRGOCAGYIMKI-UHFFFAOYSA-N
XLogP4.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032560
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
2-(2-ethylbenzimidazol-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 26286960
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
N-(4-chlorophenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032405
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17030975

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide (CID 17032346) is 2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is ZOMRGOCAGYIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-17-9-5-6-12-19(17)25-23(27)16-26-21-14-8-7-13-20(21)24-22(26)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,27).
What are the key properties of 2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide?
2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 17032346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).