4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol

C16H15FN2O2 — CID 136903734

IUPAC4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
SMILESCC(C)n1c(-c2ccc(O)cc2O)nc2cc(F)ccc21
InChIInChI=1S/C16H15FN2O2/c1-9(2)19-14-6-3-10(17)7-13(14)18-16(19)12-5-4-11(20)8-15(12)21/h3-9,20-21H,1-2H3
InChIKeyVIUGMKJSQOWASS-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.83
Rot. Bonds2

About 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol

4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol (PubChem CID 136903734) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
PubChem CID136903734
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
SMILESCC(C)n1c(-c2ccc(O)cc2O)nc2cc(F)ccc21
InChIInChI=1S/C16H15FN2O2/c1-9(2)19-14-6-3-10(17)7-13(14)18-16(19)12-5-4-11(20)8-15(12)21/h3-9,20-21H,1-2H3
InChIKeyVIUGMKJSQOWASS-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

Analyze 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol 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

2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
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-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 106502342
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
CID 136750866
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol
CID 136789678
5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 107704544
[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091
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
3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751576

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol (CID 136903734) is 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol is CC(C)n1c(-c2ccc(O)cc2O)nc2cc(F)ccc21.
What is the InChIKey of 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol?
The InChIKey is VIUGMKJSQOWASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-9(2)19-14-6-3-10(17)7-13(14)18-16(19)12-5-4-11(20)8-15(12)21/h3-9,20-21H,1-2H3.
What are the key properties of 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol?
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-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 4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 136903734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).