2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol

C14H10F2N2O — CID 136926473

IUPAC2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol
SMILESCc1cccc(-c2nc3c(F)c(F)ccc3[nH]2)c1O
InChIInChI=1S/C14H10F2N2O/c1-7-3-2-4-8(13(7)19)14-17-10-6-5-9(15)11(16)12(10)18-14/h2-6,19H,1H3,(H,17,18)
InChIKeyUSGLPYHZMATWKF-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.52
Rot. Bonds1

About 2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol

2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol (PubChem CID 136926473) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol.

Molecular Properties

Compound Name2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol
PubChem CID136926473
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol
SMILESCc1cccc(-c2nc3c(F)c(F)ccc3[nH]2)c1O
InChIInChI=1S/C14H10F2N2O/c1-7-3-2-4-8(13(7)19)14-17-10-6-5-9(15)11(16)12(10)18-14/h2-6,19H,1H3,(H,17,18)
InChIKeyUSGLPYHZMATWKF-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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Related Compounds

2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
CID 135988298
4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 115911920
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916
2-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556617
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81477808
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(1-benzothiophen-3-yl)-4,5-difluoro-1H-benzimidazole
CID 115911897
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol?
The IUPAC name of 2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol (CID 136926473) is 2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol.
What is the SMILES notation for 2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol?
The canonical SMILES for 2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol is Cc1cccc(-c2nc3c(F)c(F)ccc3[nH]2)c1O.
What is the InChIKey of 2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol?
The InChIKey is USGLPYHZMATWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c1-7-3-2-4-8(13(7)19)14-17-10-6-5-9(15)11(16)12(10)18-14/h2-6,19H,1H3,(H,17,18).
What are the key properties of 2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol?
2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-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 2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol is sourced from PubChem (CID 136926473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).