2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol

C14H10F2N2O — CID 82815117

IUPAC2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol
SMILESCc1ccc(F)c(-c2nc3ccc(O)cc3[nH]2)c1F
InChIInChI=1S/C14H10F2N2O/c1-7-2-4-9(15)12(13(7)16)14-17-10-5-3-8(19)6-11(10)18-14/h2-6,19H,1H3,(H,17,18)
InChIKeyYOJKHXKDKHOKOA-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.52
Rot. Bonds1

About 2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol

2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol (PubChem CID 82815117) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol
PubChem CID82815117
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol
SMILESCc1ccc(F)c(-c2nc3ccc(O)cc3[nH]2)c1F
InChIInChI=1S/C14H10F2N2O/c1-7-2-4-9(15)12(13(7)16)14-17-10-5-3-8(19)6-11(10)18-14/h2-6,19H,1H3,(H,17,18)
InChIKeyYOJKHXKDKHOKOA-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 2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol (CID 82815117) is 2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol is Cc1ccc(F)c(-c2nc3ccc(O)cc3[nH]2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol?
The InChIKey is YOJKHXKDKHOKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c1-7-2-4-9(15)12(13(7)16)14-17-10-5-3-8(19)6-11(10)18-14/h2-6,19H,1H3,(H,17,18).
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol?
2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol 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 2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 82815117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).