4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol

C10H7F3N2O2 — CID 115045191

IUPAC4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol
SMILESOc1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1O
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)9-14-4-6(15-9)5-1-2-7(16)8(17)3-5/h1-4,16-17H,(H,14,15)
InChIKeyOWTMGSNPGWIMAB-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.51
Rot. Bonds1

About 4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol

4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol (PubChem CID 115045191) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol
PubChem CID115045191
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol
SMILESOc1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1O
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)9-14-4-6(15-9)5-1-2-7(16)8(17)3-5/h1-4,16-17H,(H,14,15)
InChIKeyOWTMGSNPGWIMAB-UHFFFAOYSA-N
XLogP2.51
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzoic acid
CID 115050372
4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol
CID 115037686
2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
CID 65457057
2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol
CID 116881349
5-(2-tert-butyl-1H-imidazol-5-yl)-2-chloroaniline
CID 115046610
2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
CID 115031921
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701
4-[5-(3-tert-butyl-4-hydroxyphenyl)-1H-imidazol-2-yl]benzoic acid
CID 141493646
5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
CID 59836686
5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116881411
2-tert-butyl-5-(7-tert-butyl-9H-fluoren-2-yl)-1H-imidazole
CID 118357276
4-(2-tert-butyl-1H-imidazol-5-yl)benzamide
CID 59836529

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol?
The IUPAC name of 4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol (CID 115045191) is 4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol is Oc1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1O.
What is the InChIKey of 4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol?
The InChIKey is OWTMGSNPGWIMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)9-14-4-6(15-9)5-1-2-7(16)8(17)3-5/h1-4,16-17H,(H,14,15).
What are the key properties of 4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol?
4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol has a molecular weight of 244.17 g/mol, XLogP of 2.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol is sourced from PubChem (CID 115045191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).