2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol

C16H15FN2O2 — CID 136903733

IUPAC2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
SMILESCC(C)n1c(-c2cc(O)ccc2O)nc2cc(F)ccc21
InChIInChI=1S/C16H15FN2O2/c1-9(2)19-14-5-3-10(17)7-13(14)18-16(19)12-8-11(20)4-6-15(12)21/h3-9,20-21H,1-2H3
InChIKeyQKYYWSGVUAZACY-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.83
Rot. Bonds2

About 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol

2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol (PubChem CID 136903733) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
PubChem CID136903733
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
SMILESCC(C)n1c(-c2cc(O)ccc2O)nc2cc(F)ccc21
InChIInChI=1S/C16H15FN2O2/c1-9(2)19-14-5-3-10(17)7-13(14)18-16(19)12-8-11(20)4-6-15(12)21/h3-9,20-21H,1-2H3
InChIKeyQKYYWSGVUAZACY-UHFFFAOYSA-N
XLogP3.83
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731
4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 106502342
2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712554
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548
4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 137011251
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
CID 136750866
5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 107704544
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091
[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903801

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol (CID 136903733) is 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol is CC(C)n1c(-c2cc(O)ccc2O)nc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol?
The InChIKey is QKYYWSGVUAZACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-9(2)19-14-5-3-10(17)7-13(14)18-16(19)12-8-11(20)4-6-15(12)21/h3-9,20-21H,1-2H3.
What are the key properties of 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol?
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol has a molecular weight of 286.31 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol is sourced from PubChem (CID 136903733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).