[2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol

C14H10F2N2O — CID 171064598

IUPAC[2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol
SMILESOCc1c(F)cc(F)cc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H10F2N2O/c15-9-4-10(11(6-19)12(16)5-9)8-1-2-13-14(3-8)18-7-17-13/h1-5,7,19H,6H2,(H,17,18)
InChIKeyYVXHBUJMQACJJN-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.00
Rot. Bonds2

About [2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol

[2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol (PubChem CID 171064598) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is [2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol
PubChem CID171064598
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name[2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol
SMILESOCc1c(F)cc(F)cc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H10F2N2O/c15-9-4-10(11(6-19)12(16)5-9)8-1-2-13-14(3-8)18-7-17-13/h1-5,7,19H,6H2,(H,17,18)
InChIKeyYVXHBUJMQACJJN-UHFFFAOYSA-N
XLogP3.00
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol?
The IUPAC name of [2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol (CID 171064598) is [2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol.
What is the SMILES notation for [2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol?
The canonical SMILES for [2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol is OCc1c(F)cc(F)cc1-c1ccc2nc[nH]c2c1.
What is the InChIKey of [2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol?
The InChIKey is YVXHBUJMQACJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-9-4-10(11(6-19)12(16)5-9)8-1-2-13-14(3-8)18-7-17-13/h1-5,7,19H,6H2,(H,17,18).
What are the key properties of [2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol?
[2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol has a molecular weight of 260.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol is sourced from PubChem (CID 171064598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).