4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide

C22H19N3O — CID 100577552

IUPAC4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H19N3O/c1-14-6-5-7-15(2)20(14)25-22(26)17-12-10-16(11-13-17)21-23-18-8-3-4-9-19(18)24-21/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyWEECLGVJDUNZKE-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.10
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide

4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide (PubChem CID 100577552) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide
PubChem CID100577552
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H19N3O/c1-14-6-5-7-15(2)20(14)25-22(26)17-12-10-16(11-13-17)21-23-18-8-3-4-9-19(18)24-21/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyWEECLGVJDUNZKE-UHFFFAOYSA-N
XLogP5.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
4-(1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100577627
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578809
4-(1H-benzimidazol-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 100577391
4-(1H-benzimidazol-2-yl)-N-butylbenzamide
CID 100577263
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
N-[2-methyl-6-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 27187078
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26264601
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 17100747

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide (CID 100577552) is 4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide is Cc1cccc(C)c1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide?
The InChIKey is WEECLGVJDUNZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-14-6-5-7-15(2)20(14)25-22(26)17-12-10-16(11-13-17)21-23-18-8-3-4-9-19(18)24-21/h3-13H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide?
4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 100577552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).