1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole

C22H17F3N2O — CID 67152244

IUPAC1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole
SMILESCOCc1c(-c2ccccc2)cccc1-n1cnc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H17F3N2O/c1-28-13-18-17(15-6-3-2-4-7-15)8-5-9-20(18)27-14-26-19-12-16(22(23,24)25)10-11-21(19)27/h2-12,14H,13H2,1H3
InChIKeyLFFVQDUCJDDPQA-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.86
Rot. Bonds4

About 1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole

1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole (PubChem CID 67152244) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole
PubChem CID67152244
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole
SMILESCOCc1c(-c2ccccc2)cccc1-n1cnc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H17F3N2O/c1-28-13-18-17(15-6-3-2-4-7-15)8-5-9-20(18)27-14-26-19-12-16(22(23,24)25)10-11-21(19)27/h2-12,14H,13H2,1H3
InChIKeyLFFVQDUCJDDPQA-UHFFFAOYSA-N
XLogP5.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole (CID 67152244) is 1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole is COCc1c(-c2ccccc2)cccc1-n1cnc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole?
The InChIKey is LFFVQDUCJDDPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-28-13-18-17(15-6-3-2-4-7-15)8-5-9-20(18)27-14-26-19-12-16(22(23,24)25)10-11-21(19)27/h2-12,14H,13H2,1H3.
What are the key properties of 1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole?
1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole has a molecular weight of 382.39 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-3-phenylphenyl]-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 67152244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).