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

C110H91F9N10O17S5 — CID 158109239

IUPAC2-[(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
SMILESCOc1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.COc1ccc(OCc2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)cc1.COc1cccc(OCc2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)c1.CS(=O)(=O)c1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.CS(=O)(=O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.O=S
InChIInChI=1S/2C22H17F3N2O3S.C22H17F3N2O2.2C22H20N2O4S.OS/c1-31(28,29)18-4-2-3-14(11-18)15-5-10-19-20(12-15)27-21(26-19)13-30-17-8-6-16(7-9-17)22(23,24)25;1-31(28,29)20-5-3-2-4-17(20)14-6-11-18-19(12-14)27-21(26-18)13-30-16-9-7-15(8-10-16)22(23,24)25;1-28-17-7-2-14(3-8-17)15-4-11-19-20(12-15)27-21(26-19)13-29-18-9-5-16(6-10-18)22(23,24)25;1-27-16-6-5-7-17(13-16)28-14-22-23-19-11-10-15(12-20(19)24-22)18-8-3-4-9-21(18)29(2,25)26;1-27-16-8-10-17(11-9-16)28-14-22-23-19-12-7-15(13-20(19)24-22)18-5-3-4-6-21(18)29(2,25)26;1-2/h2*2-12H,13H2,1H3,(H,26,27);2-12H,13H2,1H3,(H,26,27);2*3-13H,14H2,1-2H3,(H,23,24);
InChIKeyFQFJIRVMRCRQAZ-UHFFFAOYSA-N
MW2156.31 g/mol
LogP24.40
Rot. Bonds27

About 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

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 (PubChem CID 158109239) has the molecular formula C110H91F9N10O17S5 and a molecular weight of 2156.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID158109239
Molecular FormulaC110H91F9N10O17S5
Molecular Weight2156.31 g/mol
Exact Mass2154.50
IUPAC Name2-[(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
SMILESCOc1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.COc1ccc(OCc2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)cc1.COc1cccc(OCc2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)c1.CS(=O)(=O)c1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.CS(=O)(=O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.O=S
InChIInChI=1S/2C22H17F3N2O3S.C22H17F3N2O2.2C22H20N2O4S.OS/c1-31(28,29)18-4-2-3-14(11-18)15-5-10-19-20(12-15)27-21(26-19)13-30-17-8-6-16(7-9-17)22(23,24)25;1-31(28,29)20-5-3-2-4-17(20)14-6-11-18-19(12-14)27-21(26-18)13-30-16-9-7-15(8-10-16)22(23,24)25;1-28-17-7-2-14(3-8-17)15-4-11-19-20(12-15)27-21(26-19)13-29-18-9-5-16(6-10-18)22(23,24)25;1-27-16-6-5-7-17(13-16)28-14-22-23-19-11-10-15(12-20(19)24-22)18-8-3-4-9-21(18)29(2,25)26;1-27-16-8-10-17(11-9-16)28-14-22-23-19-12-7-15(13-20(19)24-22)18-5-3-4-6-21(18)29(2,25)26;1-2/h2*2-12H,13H2,1H3,(H,26,27);2-12H,13H2,1H3,(H,26,27);2*3-13H,14H2,1-2H3,(H,23,24);
InChIKeyFQFJIRVMRCRQAZ-UHFFFAOYSA-N
XLogP24.40
TPSA370.87 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.31
LogP ≤ 524.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 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 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-tert-butylphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24958351
2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24958354
2-[(4-bromophenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24957598
2-[[2-fluoro-3-(trifluoromethyl)phenoxy]methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 69074819
methyl 3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzoate
CID 69089344
2-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]-1-(trimethyl-λ4-sulfanyl)ethanol
CID 69077588
2,2-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-ol
CID 69079231
4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzoic acid
CID 69080781
1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 24958716
1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]butan-1-ol
CID 143702615
N-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]acetamide;1-[3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 161481554
N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide
CID 3993407

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.COc1ccc(OCc2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)cc1.COc1cccc(OCc2nc3ccc(-c4ccccc4S(C)(=O)=O)cc3[nH]2)c1.CS(=O)(=O)c1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.CS(=O)(=O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.O=S.
What is the InChIKey of 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?
The InChIKey is FQFJIRVMRCRQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17F3N2O3S.C22H17F3N2O2.2C22H20N2O4S.OS/c1-31(28,29)18-4-2-3-14(11-18)15-5-10-19-20(12-15)27-21(26-19)13-30-17-8-6-16(7-9-17)22(23,24)25;1-31(28,29)20-5-3-2-4-17(20)14-6-11-18-19(12-14)27-21(26-18)13-30-16-9-7-15(8-10-16)22(23,24)25;1-28-17-7-2-14(3-8-17)15-4-11-19-20(12-15)27-21(26-19)13-29-18-9-5-16(6-10-18)22(23,24)25;1-27-16-6-5-7-17(13-16)28-14-22-23-19-11-10-15(12-20(19)24-22)18-8-3-4-9-21(18)29(2,25)26;1-27-16-8-10-17(11-9-16)28-14-22-23-19-12-7-15(13-20(19)24-22)18-5-3-4-6-21(18)29(2,25)26;1-2/h2*2-12H,13H2,1H3,(H,26,27);2-12H,13H2,1H3,(H,26,27);2*3-13H,14H2,1-2H3,(H,23,24);.
What are the key properties of 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?
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 has a molecular weight of 2156.31 g/mol, XLogP of 24.40, 27 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158109239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).