N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide

C23H21N3O — CID 78836794

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c(C)c1
InChIInChI=1S/C23H21N3O/c1-15-8-10-19(16(2)12-15)23(27)26-22(17-6-4-3-5-7-17)18-9-11-20-21(13-18)25-14-24-20/h3-14,22H,1-2H3,(H,24,25)(H,26,27)
InChIKeyBZTJYBXWBHPILY-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.70
Rot. Bonds4

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide (PubChem CID 78836794) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
PubChem CID78836794
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c(C)c1
InChIInChI=1S/C23H21N3O/c1-15-8-10-19(16(2)12-15)23(27)26-22(17-6-4-3-5-7-17)18-9-11-20-21(13-18)25-14-24-20/h3-14,22H,1-2H3,(H,24,25)(H,26,27)
InChIKeyBZTJYBXWBHPILY-UHFFFAOYSA-N
XLogP4.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide 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

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 112809173
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide
CID 78836790
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78839242
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 42883479
N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 24627824
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide
CID 78886873
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 17459495
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
CID 78839231
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 24621619
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide (CID 78836794) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c(C)c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide?
The InChIKey is BZTJYBXWBHPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-8-10-19(16(2)12-15)23(27)26-22(17-6-4-3-5-7-17)18-9-11-20-21(13-18)25-14-24-20/h3-14,22H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 78836794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).