5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol

C16H15FN2O2 — CID 107704544

IUPAC5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
SMILESCC(C)n1c(-c2cc(O)cc(O)c2)nc2ccc(F)cc21
InChIInChI=1S/C16H15FN2O2/c1-9(2)19-15-7-11(17)3-4-14(15)18-16(19)10-5-12(20)8-13(21)6-10/h3-9,20-21H,1-2H3
InChIKeyAMYDIXOGPMQCID-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.83
Rot. Bonds2

About 5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol

5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol (PubChem CID 107704544) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
PubChem CID107704544
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
SMILESCC(C)n1c(-c2cc(O)cc(O)c2)nc2ccc(F)cc21
InChIInChI=1S/C16H15FN2O2/c1-9(2)19-15-7-11(17)3-4-14(15)18-16(19)10-5-12(20)8-13(21)6-10/h3-9,20-21H,1-2H3
InChIKeyAMYDIXOGPMQCID-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

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Related Compounds

4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 106502342
2-[3-(chloromethyl)phenyl]-6-fluoro-1-propan-2-ylbenzimidazole
CID 63539997
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734
5-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 115473460
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 62376051
3-amino-N-[4-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 120504377
5-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704572
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
ethyl 2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)propanoate
CID 79474644
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol (CID 107704544) is 5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol is CC(C)n1c(-c2cc(O)cc(O)c2)nc2ccc(F)cc21.
What is the InChIKey of 5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol?
The InChIKey is AMYDIXOGPMQCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-9(2)19-15-7-11(17)3-4-14(15)18-16(19)10-5-12(20)8-13(21)6-10/h3-9,20-21H,1-2H3.
What are the key properties of 5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol?
5-(6-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 5-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 107704544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).