[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol

C15H12F2N2O2 — CID 68661900

IUPAC[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol
SMILESCn1c(CO)nc2ccc(Oc3cc(F)ccc3F)cc21
InChIInChI=1S/C15H12F2N2O2/c1-19-13-7-10(3-5-12(13)18-15(19)8-20)21-14-6-9(16)2-4-11(14)17/h2-7,20H,8H2,1H3
InChIKeyWRXCJFNGWVEHLT-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.14
Rot. Bonds3

About [6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol

[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol (PubChem CID 68661900) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is [6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol
PubChem CID68661900
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol
SMILESCn1c(CO)nc2ccc(Oc3cc(F)ccc3F)cc21
InChIInChI=1S/C15H12F2N2O2/c1-19-13-7-10(3-5-12(13)18-15(19)8-20)21-14-6-9(16)2-4-11(14)17/h2-7,20H,8H2,1H3
InChIKeyWRXCJFNGWVEHLT-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol?
The IUPAC name of [6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol (CID 68661900) is [6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol.
What is the SMILES notation for [6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol?
The canonical SMILES for [6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol is Cn1c(CO)nc2ccc(Oc3cc(F)ccc3F)cc21.
What is the InChIKey of [6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol?
The InChIKey is WRXCJFNGWVEHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c1-19-13-7-10(3-5-12(13)18-15(19)8-20)21-14-6-9(16)2-4-11(14)17/h2-7,20H,8H2,1H3.
What are the key properties of [6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol?
[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol has a molecular weight of 290.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol is sourced from PubChem (CID 68661900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).