4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol

C14H10F2N2O — CID 112556656

IUPAC4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
SMILESOc1ccc(Cc2nc3c(F)c(F)ccc3[nH]2)cc1
InChIInChI=1S/C14H10F2N2O/c15-10-5-6-11-14(13(10)16)18-12(17-11)7-8-1-3-9(19)4-2-8/h1-6,19H,7H2,(H,17,18)
InChIKeyRSKCBNPPPHBKIG-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.14
Rot. Bonds2

About 4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol

4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol (PubChem CID 112556656) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
PubChem CID112556656
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
SMILESOc1ccc(Cc2nc3c(F)c(F)ccc3[nH]2)cc1
InChIInChI=1S/C14H10F2N2O/c15-10-5-6-11-14(13(10)16)18-12(17-11)7-8-1-3-9(19)4-2-8/h1-6,19H,7H2,(H,17,18)
InChIKeyRSKCBNPPPHBKIG-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol?
The IUPAC name of 4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol (CID 112556656) is 4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol is Oc1ccc(Cc2nc3c(F)c(F)ccc3[nH]2)cc1.
What is the InChIKey of 4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol?
The InChIKey is RSKCBNPPPHBKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-10-5-6-11-14(13(10)16)18-12(17-11)7-8-1-3-9(19)4-2-8/h1-6,19H,7H2,(H,17,18).
What are the key properties of 4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol?
4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol has a molecular weight of 260.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 112556656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).