1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole

C24H21F3N2O — CID 67152312

IUPAC1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole
SMILESCCOC(C)c1ccccc1-c1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C24H21F3N2O/c1-3-30-16(2)20-9-4-5-10-21(20)17-7-6-8-19(13-17)29-15-28-22-14-18(24(25,26)27)11-12-23(22)29/h4-16H,3H2,1-2H3
InChIKeyWEVQCPCEJZTEMJ-UHFFFAOYSA-N
MW410.44 g/mol
LogP6.81
Rot. Bonds5

About 1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole

1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole (PubChem CID 67152312) has the molecular formula C24H21F3N2O and a molecular weight of 410.44 g/mol. Its IUPAC name is 1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole
PubChem CID67152312
Molecular FormulaC24H21F3N2O
Molecular Weight410.44 g/mol
Exact Mass410.16
IUPAC Name1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole
SMILESCCOC(C)c1ccccc1-c1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C24H21F3N2O/c1-3-30-16(2)20-9-4-5-10-21(20)17-7-6-8-19(13-17)29-15-28-22-14-18(24(25,26)27)11-12-23(22)29/h4-16H,3H2,1-2H3
InChIKeyWEVQCPCEJZTEMJ-UHFFFAOYSA-N
XLogP6.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole (CID 67152312) is 1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole is CCOC(C)c1ccccc1-c1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole?
The InChIKey is WEVQCPCEJZTEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O/c1-3-30-16(2)20-9-4-5-10-21(20)17-7-6-8-19(13-17)29-15-28-22-14-18(24(25,26)27)11-12-23(22)29/h4-16H,3H2,1-2H3.
What are the key properties of 1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole?
1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole has a molecular weight of 410.44 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1-ethoxyethyl)phenyl]phenyl]-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 67152312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).