2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide

C23H18F3N3O2 — CID 90011188

IUPAC2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C23H18F3N3O2/c1-2-31-20-10-6-4-8-16(20)22(30)29-17-9-5-3-7-15(17)21-27-18-12-11-14(23(24,25)26)13-19(18)28-21/h3-13H,2H2,1H3,(H,27,28)(H,29,30)
InChIKeyIQYRWZAYIWGNRM-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.90
Rot. Bonds5

About 2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide

2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 90011188) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID90011188
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C23H18F3N3O2/c1-2-31-20-10-6-4-8-16(20)22(30)29-17-9-5-3-7-15(17)21-27-18-12-11-14(23(24,25)26)13-19(18)28-21/h3-13H,2H2,1H3,(H,27,28)(H,29,30)
InChIKeyIQYRWZAYIWGNRM-UHFFFAOYSA-N
XLogP5.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide (CID 90011188) is 2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is IQYRWZAYIWGNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-2-31-20-10-6-4-8-16(20)22(30)29-17-9-5-3-7-15(17)21-27-18-12-11-14(23(24,25)26)13-19(18)28-21/h3-13H,2H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 425.41 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 90011188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).