3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol

C16H15FN2O — CID 136751548

IUPAC3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2ccc(O)cc2F)nc2ccccc21
InChIInChI=1S/C16H15FN2O/c1-10(2)19-15-6-4-3-5-14(15)18-16(19)12-8-7-11(20)9-13(12)17/h3-10,20H,1-2H3
InChIKeyMHFGLMZULVLVRA-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.13
Rot. Bonds2

About 3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol

3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol (PubChem CID 136751548) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
PubChem CID136751548
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2ccc(O)cc2F)nc2ccccc21
InChIInChI=1S/C16H15FN2O/c1-10(2)19-15-6-4-3-5-14(15)18-16(19)12-8-7-11(20)9-13(12)17/h3-10,20H,1-2H3
InChIKeyMHFGLMZULVLVRA-UHFFFAOYSA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol?
The IUPAC name of 3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol (CID 136751548) is 3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol?
The canonical SMILES for 3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol is CC(C)n1c(-c2ccc(O)cc2F)nc2ccccc21.
What is the InChIKey of 3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol?
The InChIKey is MHFGLMZULVLVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10(2)19-15-6-4-3-5-14(15)18-16(19)12-8-7-11(20)9-13(12)17/h3-10,20H,1-2H3.
What are the key properties of 3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol?
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol has a molecular weight of 270.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 136751548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).