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

C115H92F15N13O10 — CID 161481554

IUPACN-[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
SMILESCC(=O)Nc1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.CC(=O)Nc1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.CC(=O)Nc1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.CC(O)c1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.CC(O)c1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1
InChIInChI=1S/3C23H18F3N3O2.2C23H19F3N2O2/c1-14(30)27-18-7-2-15(3-8-18)16-4-11-20-21(12-16)29-22(28-20)13-31-19-9-5-17(6-10-19)23(24,25)26;1-14(30)27-18-4-2-3-15(11-18)16-5-10-20-21(12-16)29-22(28-20)13-31-19-8-6-17(7-9-19)23(24,25)26;1-14(30)27-19-5-3-2-4-18(19)15-6-11-20-21(12-15)29-22(28-20)13-31-17-9-7-16(8-10-17)23(24,25)26;1-14(29)15-2-4-16(5-3-15)17-6-11-20-21(12-17)28-22(27-20)13-30-19-9-7-18(8-10-19)23(24,25)26;1-14(29)15-3-2-4-16(11-15)17-5-10-20-21(12-17)28-22(27-20)13-30-19-8-6-18(7-9-19)23(24,25)26/h3*2-12H,13H2,1H3,(H,27,30)(H,28,29);2*2-12,14,29H,13H2,1H3,(H,27,28)
InChIKeyWEKRHPCEMKMAJJ-UHFFFAOYSA-N
MW2101.05 g/mol
LogP29.12
Rot. Bonds25

About 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

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 (PubChem CID 161481554) has the molecular formula C115H92F15N13O10 and a molecular weight of 2101.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161481554
Molecular FormulaC115H92F15N13O10
Molecular Weight2101.05 g/mol
Exact Mass2099.69
IUPAC NameN-[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
SMILESCC(=O)Nc1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.CC(=O)Nc1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.CC(=O)Nc1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.CC(O)c1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.CC(O)c1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1
InChIInChI=1S/3C23H18F3N3O2.2C23H19F3N2O2/c1-14(30)27-18-7-2-15(3-8-18)16-4-11-20-21(12-16)29-22(28-20)13-31-19-9-5-17(6-10-19)23(24,25)26;1-14(30)27-18-4-2-3-15(11-18)16-5-10-20-21(12-16)29-22(28-20)13-31-19-8-6-17(7-9-19)23(24,25)26;1-14(30)27-19-5-3-2-4-18(19)15-6-11-20-21(12-15)29-22(28-20)13-31-17-9-7-16(8-10-17)23(24,25)26;1-14(29)15-2-4-16(5-3-15)17-6-11-20-21(12-17)28-22(27-20)13-30-19-9-7-18(8-10-19)23(24,25)26;1-14(29)15-3-2-4-16(11-15)17-5-10-20-21(12-17)28-22(27-20)13-30-19-8-6-18(7-9-19)23(24,25)26/h3*2-12H,13H2,1H3,(H,27,30)(H,28,29);2*2-12,14,29H,13H2,1H3,(H,27,28)
InChIKeyWEKRHPCEMKMAJJ-UHFFFAOYSA-N
XLogP29.12
TPSA317.31 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002101.05
LogP ≤ 529.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.CC(=O)Nc1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.CC(=O)Nc1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.CC(O)c1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.CC(O)c1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.
What is the InChIKey of 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?
The InChIKey is WEKRHPCEMKMAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H18F3N3O2.2C23H19F3N2O2/c1-14(30)27-18-7-2-15(3-8-18)16-4-11-20-21(12-16)29-22(28-20)13-31-19-9-5-17(6-10-19)23(24,25)26;1-14(30)27-18-4-2-3-15(11-18)16-5-10-20-21(12-16)29-22(28-20)13-31-19-8-6-17(7-9-19)23(24,25)26;1-14(30)27-19-5-3-2-4-18(19)15-6-11-20-21(12-15)29-22(28-20)13-31-17-9-7-16(8-10-17)23(24,25)26;1-14(29)15-2-4-16(5-3-15)17-6-11-20-21(12-17)28-22(27-20)13-30-19-9-7-18(8-10-19)23(24,25)26;1-14(29)15-3-2-4-16(11-15)17-5-10-20-21(12-17)28-22(27-20)13-30-19-8-6-18(7-9-19)23(24,25)26/h3*2-12H,13H2,1H3,(H,27,30)(H,28,29);2*2-12,14,29H,13H2,1H3,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 2101.05 g/mol, XLogP of 29.12, 25 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161481554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).