2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone

C23H20N2O2 — CID 16997818

IUPAC2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone
SMILESCc1ccccc1OCc1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-17-9-5-8-14-22(17)27-16-23-24-19-12-6-7-13-20(19)25(23)15-21(26)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKeyYJYODILIGJCMNU-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.81
Rot. Bonds6

About 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone

2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone (PubChem CID 16997818) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone
PubChem CID16997818
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone
SMILESCc1ccccc1OCc1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-17-9-5-8-14-22(17)27-16-23-24-19-12-6-7-13-20(19)25(23)15-21(26)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKeyYJYODILIGJCMNU-UHFFFAOYSA-N
XLogP4.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone 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

1-(4-chlorophenyl)-2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997817
1-(4-chlorophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997569
4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221139
3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144857
ethyl 2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetate
CID 16998057
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16997554
1-[3-(3,5-dimethylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997760
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16998038
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone (CID 16997818) is 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone is Cc1ccccc1OCc1nc2ccccc2n1CC(=O)c1ccccc1.
What is the InChIKey of 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone?
The InChIKey is YJYODILIGJCMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-17-9-5-8-14-22(17)27-16-23-24-19-12-6-7-13-20(19)25(23)15-21(26)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3.
What are the key properties of 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone?
2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone has a molecular weight of 356.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone is sourced from PubChem (CID 16997818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).