1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one

C17H15F3N2O2 — CID 71888179

IUPAC1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(O)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H15F3N2O2/c1-21-13-8-4-5-9-14(13)22(16(21)24)10-15(23)11-6-2-3-7-12(11)17(18,19)20/h2-9,15,23H,10H2,1H3
InChIKeyYYCLPFNHYGWWRB-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.09
Rot. Bonds3

About 1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one

1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one (PubChem CID 71888179) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one
PubChem CID71888179
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(O)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H15F3N2O2/c1-21-13-8-4-5-9-14(13)22(16(21)24)10-15(23)11-6-2-3-7-12(11)17(18,19)20/h2-9,15,23H,10H2,1H3
InChIKeyYYCLPFNHYGWWRB-UHFFFAOYSA-N
XLogP3.09
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one (CID 71888179) is 1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(CC(O)c2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one?
The InChIKey is YYCLPFNHYGWWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-21-13-8-4-5-9-14(13)22(16(21)24)10-15(23)11-6-2-3-7-12(11)17(18,19)20/h2-9,15,23H,10H2,1H3.
What are the key properties of 1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one?
1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one has a molecular weight of 336.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 71888179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).