3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol

C14H10F2N2O — CID 82829918

IUPAC3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C14H10F2N2O/c1-7-9(3-2-4-12(7)19)14-17-11-6-8(15)5-10(16)13(11)18-14/h2-6,19H,1H3,(H,17,18)
InChIKeyOPUVNLATATUQHH-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.52
Rot. Bonds1

About 3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol

3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol (PubChem CID 82829918) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol.

Molecular Properties

Compound Name3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol
PubChem CID82829918
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C14H10F2N2O/c1-7-9(3-2-4-12(7)19)14-17-11-6-8(15)5-10(16)13(11)18-14/h2-6,19H,1H3,(H,17,18)
InChIKeyOPUVNLATATUQHH-UHFFFAOYSA-N
XLogP3.52
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol?
The IUPAC name of 3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol (CID 82829918) is 3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol.
What is the SMILES notation for 3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol?
The canonical SMILES for 3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol is Cc1c(O)cccc1-c1nc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol?
The InChIKey is OPUVNLATATUQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c1-7-9(3-2-4-12(7)19)14-17-11-6-8(15)5-10(16)13(11)18-14/h2-6,19H,1H3,(H,17,18).
What are the key properties of 3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol?
3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol has a molecular weight of 260.24 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol is sourced from PubChem (CID 82829918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).