2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol

C12H13FN2O — CID 115031921

IUPAC2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
SMILESCC(C)c1ncc(-c2ccc(F)c(O)c2)[nH]1
InChIInChI=1S/C12H13FN2O/c1-7(2)12-14-6-10(15-12)8-3-4-9(13)11(16)5-8/h3-7,16H,1-2H3,(H,14,15)
InChIKeyCQMPTHJNVQBFKC-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.04
Rot. Bonds2

About 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol

2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol (PubChem CID 115031921) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol.

Molecular Properties

Compound Name2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
PubChem CID115031921
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
SMILESCC(C)c1ncc(-c2ccc(F)c(O)c2)[nH]1
InChIInChI=1S/C12H13FN2O/c1-7(2)12-14-6-10(15-12)8-3-4-9(13)11(16)5-8/h3-7,16H,1-2H3,(H,14,15)
InChIKeyCQMPTHJNVQBFKC-UHFFFAOYSA-N
XLogP3.04
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol?
The IUPAC name of 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol (CID 115031921) is 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol.
What is the SMILES notation for 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol?
The canonical SMILES for 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol is CC(C)c1ncc(-c2ccc(F)c(O)c2)[nH]1.
What is the InChIKey of 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol?
The InChIKey is CQMPTHJNVQBFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7(2)12-14-6-10(15-12)8-3-4-9(13)11(16)5-8/h3-7,16H,1-2H3,(H,14,15).
What are the key properties of 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol?
2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol has a molecular weight of 220.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol is sourced from PubChem (CID 115031921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).