N-(1H-benzimidazol-2-yl)-4-methylbenzamide

C15H13N3O — CID 2162753

IUPACN-(1H-benzimidazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)14(19)18-15-16-12-4-2-3-5-13(12)17-15/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyMCPFWFXITVMKRJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.12
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-4-methylbenzamide

N-(1H-benzimidazol-2-yl)-4-methylbenzamide (PubChem CID 2162753) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-methylbenzamide
PubChem CID2162753
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(1H-benzimidazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)14(19)18-15-16-12-4-2-3-5-13(12)17-15/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyMCPFWFXITVMKRJ-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-benzimidazol-2-yl)-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mebendazole
CID 4030
Flubendazole
CID 35802
Aminomebendazole
CID 40320
Cyclobendazole
CID 35803
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
N-(1H-Benzimidazol-2-YL)-3-chlorobenzamide
CID 898010
Takinib
CID 37750349
N-(1H-benzimidazol-2-yl)-4-chlorobenzamide
CID 2094705
2-(1H-1,3-benzodiazol-2-yl)-1-(4-nitrophenyl)ethan-1-one
CID 3749366
N-(1H-1,3-benzodiazol-2-yl)acetamide
CID 167972
N-(1H-benzo[d]imidazol-2-yl)-3-nitrobenzamide
CID 3572750
3-(1H-benzimidazol-2-yl)-2(1H)-Quinolinone
CID 135402853

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-methylbenzamide (CID 2162753) is N-(1H-benzimidazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-methylbenzamide?
The InChIKey is MCPFWFXITVMKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-6-8-11(9-7-10)14(19)18-15-16-12-4-2-3-5-13(12)17-15/h2-9H,1H3,(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-methylbenzamide?
N-(1H-benzimidazol-2-yl)-4-methylbenzamide has a molecular weight of 251.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 2162753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).