2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole

C23H22N2O4S — CID 24958354

IUPAC2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
SMILESCCOc1ccc(OCc2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)cc1
InChIInChI=1S/C23H22N2O4S/c1-3-28-17-9-11-18(12-10-17)29-15-23-24-20-13-8-16(14-21(20)25-23)19-6-4-5-7-22(19)30(2,26)27/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyVEOHTJJNCSOBRX-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.61
Rot. Bonds7

About 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole

2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole (PubChem CID 24958354) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
PubChem CID24958354
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
SMILESCCOc1ccc(OCc2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)cc1
InChIInChI=1S/C23H22N2O4S/c1-3-28-17-9-11-18(12-10-17)29-15-23-24-20-13-8-16(14-21(20)25-23)19-6-4-5-7-22(19)30(2,26)27/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyVEOHTJJNCSOBRX-UHFFFAOYSA-N
XLogP4.61
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole 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

2-[(4-bromophenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24957598
2-[(4-tert-butylphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24958351
2-[[2-fluoro-3-(trifluoromethyl)phenoxy]methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 69074819
2-[(3-methoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole;2-[(4-methoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole;6-(4-methoxyphenyl)-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-(2-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-(3-methylsulfonylphenyl)-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;sulfur monoxide
CID 158109239
2-[(4-ethoxyphenoxy)methyl]-3H-benzimidazole-5-carbaldehyde
CID 84756475
2-[2-[(2,3,4-trifluorophenoxy)methyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24960901
N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide
CID 3993407
N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 67165005
2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol
CID 69079231
1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]butan-1-ol
CID 143702615
2-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]-1-(trimethyl-λ4-sulfanyl)ethanol
CID 69077588
6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 27408358

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole?
The IUPAC name of 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole (CID 24958354) is 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole is CCOc1ccc(OCc2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole?
The InChIKey is VEOHTJJNCSOBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-3-28-17-9-11-18(12-10-17)29-15-23-24-20-13-8-16(14-21(20)25-23)19-6-4-5-7-22(19)30(2,26)27/h4-14H,3,15H2,1-2H3,(H,24,25).
What are the key properties of 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole?
2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole has a molecular weight of 422.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole is sourced from PubChem (CID 24958354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).