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

C14H11FN2O2 — CID 110491210

IUPAC6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one
SMILESCc1cc(O)ccc1-n1c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C14H11FN2O2/c1-8-6-10(18)3-5-12(8)17-13-4-2-9(15)7-11(13)16-14(17)19/h2-7,18H,1H3,(H,16,19)
InChIKeyXXNDYHJRBQVMHU-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.47
Rot. Bonds1

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

6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one (PubChem CID 110491210) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one
PubChem CID110491210
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one
SMILESCc1cc(O)ccc1-n1c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C14H11FN2O2/c1-8-6-10(18)3-5-12(8)17-13-4-2-9(15)7-11(13)16-14(17)19/h2-7,18H,1H3,(H,16,19)
InChIKeyXXNDYHJRBQVMHU-UHFFFAOYSA-N
XLogP2.47
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one
CID 110491205
5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598321
6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one
CID 110491246
6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one
CID 18677024
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 43659444
6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 43660688
6-fluoro-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-benzimidazol-2-one
CID 110491160
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
6-hydroxy-3-(2-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261398
4-(4-fluoro-2-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62897291
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one (CID 110491210) is 6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one is Cc1cc(O)ccc1-n1c(=O)[nH]c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one?
The InChIKey is XXNDYHJRBQVMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-8-6-10(18)3-5-12(8)17-13-4-2-9(15)7-11(13)16-14(17)19/h2-7,18H,1H3,(H,16,19).
What are the key properties of 6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one?
6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one has a molecular weight of 258.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110491210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).