1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole

C9H5F5N2O — CID 154377012

IUPAC1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole
SMILESOn1c(C(F)(F)C(F)(F)F)nc2ccccc21
InChIInChI=1S/C9H5F5N2O/c10-8(11,9(12,13)14)7-15-5-3-1-2-4-6(5)16(7)17/h1-4,17H
InChIKeyKUTGDSFMDQQYEB-UHFFFAOYSA-N
MW252.14 g/mol
LogP2.93
Rot. Bonds1

About 1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole

1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole (PubChem CID 154377012) has the molecular formula C9H5F5N2O and a molecular weight of 252.14 g/mol. Its IUPAC name is 1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole.

Molecular Properties

Compound Name1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole
PubChem CID154377012
Molecular FormulaC9H5F5N2O
Molecular Weight252.14 g/mol
Exact Mass252.03
IUPAC Name1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole
SMILESOn1c(C(F)(F)C(F)(F)F)nc2ccccc21
InChIInChI=1S/C9H5F5N2O/c10-8(11,9(12,13)14)7-15-5-3-1-2-4-6(5)16(7)17/h1-4,17H
InChIKeyKUTGDSFMDQQYEB-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid
CID 43248585
1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole
CID 20728113
1-hydroxy-2-phenylbenzimidazole
CID 606555
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
1-(1-hydroxybenzimidazol-2-yl)ethanol
CID 83387830
4-(1-hydroxybenzimidazol-2-yl)benzene-1,2-diol
CID 136600493
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole
CID 824435
N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide
CID 19615374
ethane;2-ethyl-1-hydroxybenzimidazole;methanethiol
CID 145270197
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
2-[2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]ethanol
CID 2772843

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole?
The IUPAC name of 1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole (CID 154377012) is 1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole.
What is the SMILES notation for 1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole?
The canonical SMILES for 1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole is On1c(C(F)(F)C(F)(F)F)nc2ccccc21.
What is the InChIKey of 1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole?
The InChIKey is KUTGDSFMDQQYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2O/c10-8(11,9(12,13)14)7-15-5-3-1-2-4-6(5)16(7)17/h1-4,17H.
What are the key properties of 1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole?
1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole has a molecular weight of 252.14 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole is sourced from PubChem (CID 154377012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).