5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one

C17H17FN2O2 — CID 142429533

IUPAC5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one
SMILESCC(C)(O)Cn1c(=O)[nH]c2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C17H17FN2O2/c1-17(2,22)10-20-15-9-12(5-8-14(15)19-16(20)21)11-3-6-13(18)7-4-11/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyKLEKGQUAWLHRQO-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.91
Rot. Bonds3

About 5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one

5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one (PubChem CID 142429533) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one
PubChem CID142429533
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one
SMILESCC(C)(O)Cn1c(=O)[nH]c2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C17H17FN2O2/c1-17(2,22)10-20-15-9-12(5-8-14(15)19-16(20)21)11-3-6-13(18)7-4-11/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyKLEKGQUAWLHRQO-UHFFFAOYSA-N
XLogP2.91
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one (CID 142429533) is 5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one is CC(C)(O)Cn1c(=O)[nH]c2ccc(-c3ccc(F)cc3)cc21.
What is the InChIKey of 5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one?
The InChIKey is KLEKGQUAWLHRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-17(2,22)10-20-15-9-12(5-8-14(15)19-16(20)21)11-3-6-13(18)7-4-11/h3-9,22H,10H2,1-2H3,(H,19,21).
What are the key properties of 5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one?
5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one has a molecular weight of 300.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 142429533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).