3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol

C14H11FN2O — CID 82829916

IUPAC3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C14H11FN2O/c1-8-9(4-2-7-12(8)18)14-16-11-6-3-5-10(15)13(11)17-14/h2-7,18H,1H3,(H,16,17)
InChIKeyKXUUCHXAIREESP-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.38
Rot. Bonds1

About 3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol

3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol (PubChem CID 82829916) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol.

Molecular Properties

Compound Name3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
PubChem CID82829916
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C14H11FN2O/c1-8-9(4-2-7-12(8)18)14-16-11-6-3-5-10(15)13(11)17-14/h2-7,18H,1H3,(H,16,17)
InChIKeyKXUUCHXAIREESP-UHFFFAOYSA-N
XLogP3.38
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829918
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
CID 60979206
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline
CID 63020703
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
5-(4-fluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615382
4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 64721931
2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
CID 82829837
4-fluoro-2-(2-fluoro-6-methoxyphenyl)-1H-benzimidazole
CID 65434615

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol?
The IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol (CID 82829916) is 3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol.
What is the SMILES notation for 3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol?
The canonical SMILES for 3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol is Cc1c(O)cccc1-c1nc2c(F)cccc2[nH]1.
What is the InChIKey of 3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol?
The InChIKey is KXUUCHXAIREESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-8-9(4-2-7-12(8)18)14-16-11-6-3-5-10(15)13(11)17-14/h2-7,18H,1H3,(H,16,17).
What are the key properties of 3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol?
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol has a molecular weight of 242.25 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol is sourced from PubChem (CID 82829916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).