6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one

C14H11FN2O — CID 110491205

IUPAC6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)[nH]c3cc(F)ccc32)cc1
InChIInChI=1S/C14H11FN2O/c1-9-2-5-11(6-3-9)17-13-7-4-10(15)8-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyHNJHEWJHFISXRQ-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.77
Rot. Bonds1

About 6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one

6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one (PubChem CID 110491205) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one
PubChem CID110491205
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)[nH]c3cc(F)ccc32)cc1
InChIInChI=1S/C14H11FN2O/c1-9-2-5-11(6-3-9)17-13-7-4-10(15)8-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyHNJHEWJHFISXRQ-UHFFFAOYSA-N
XLogP2.77
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one (CID 110491205) is 6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one is Cc1ccc(-n2c(=O)[nH]c3cc(F)ccc32)cc1.
What is the InChIKey of 6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one?
The InChIKey is HNJHEWJHFISXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-9-2-5-11(6-3-9)17-13-7-4-10(15)8-12(13)16-14(17)18/h2-8H,1H3,(H,16,18).
What are the key properties of 6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one?
6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one has a molecular weight of 242.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110491205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).