6-(difluoromethyl)-1H-benzimidazol-5-ol

C8H6F2N2O — CID 130882278

IUPAC6-(difluoromethyl)-1H-benzimidazol-5-ol
SMILESOc1cc2nc[nH]c2cc1C(F)F
InChIInChI=1S/C8H6F2N2O/c9-8(10)4-1-5-6(2-7(4)13)12-3-11-5/h1-3,8,13H,(H,11,12)
InChIKeyJSVRMSHBQGAHFG-UHFFFAOYSA-N
MW184.15 g/mol
LogP2.21
Rot. Bonds1

About 6-(difluoromethyl)-1H-benzimidazol-5-ol

6-(difluoromethyl)-1H-benzimidazol-5-ol (PubChem CID 130882278) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 6-(difluoromethyl)-1H-benzimidazol-5-ol.

Molecular Properties

Compound Name6-(difluoromethyl)-1H-benzimidazol-5-ol
PubChem CID130882278
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name6-(difluoromethyl)-1H-benzimidazol-5-ol
SMILESOc1cc2nc[nH]c2cc1C(F)F
InChIInChI=1S/C8H6F2N2O/c9-8(10)4-1-5-6(2-7(4)13)12-3-11-5/h1-3,8,13H,(H,11,12)
InChIKeyJSVRMSHBQGAHFG-UHFFFAOYSA-N
XLogP2.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(difluoromethyl)-1H-benzimidazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-5-fluoro-1H-benzimidazole
CID 131115762
6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile
CID 130882495
6-amino-1H-benzimidazol-5-ol
CID 82417589
6-(hydroxymethyl)-1H-benzimidazol-5-ol
CID 130998540
6-(trifluoromethoxy)-3H-benzimidazol-5-ol
CID 131326184
6-hydroxy-3H-benzimidazole-5-carboxamide
CID 130781668
5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole
CID 22975284
(2S)-2-amino-3-(6-hydroxy-3H-benzimidazol-5-yl)propanoic acid;dihydrobromide
CID 22807429
[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol
CID 130777663
4-(difluoromethyl)-6-iodo-1H-benzimidazole
CID 130952734
ethane;5-fluoro-6-methyl-1H-benzimidazole
CID 162381699
2-(3H-benzimidazol-5-yl)phenol
CID 162260962

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1H-benzimidazol-5-ol?
The IUPAC name of 6-(difluoromethyl)-1H-benzimidazol-5-ol (CID 130882278) is 6-(difluoromethyl)-1H-benzimidazol-5-ol.
What is the SMILES notation for 6-(difluoromethyl)-1H-benzimidazol-5-ol?
The canonical SMILES for 6-(difluoromethyl)-1H-benzimidazol-5-ol is Oc1cc2nc[nH]c2cc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-1H-benzimidazol-5-ol?
The InChIKey is JSVRMSHBQGAHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-8(10)4-1-5-6(2-7(4)13)12-3-11-5/h1-3,8,13H,(H,11,12).
What are the key properties of 6-(difluoromethyl)-1H-benzimidazol-5-ol?
6-(difluoromethyl)-1H-benzimidazol-5-ol has a molecular weight of 184.15 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1H-benzimidazol-5-ol is sourced from PubChem (CID 130882278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).