5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one

C15H13FN2O2 — CID 61086953

IUPAC5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)Cc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C15H13FN2O2/c16-11-4-1-9(2-5-11)7-14(19)10-3-6-12-13(8-10)18-15(20)17-12/h1-6,8,14,19H,7H2,(H2,17,18,20)
InChIKeyAAJOKYKBCDIUOP-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.27
Rot. Bonds3

About 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61086953) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61086953
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)Cc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C15H13FN2O2/c16-11-4-1-9(2-5-11)7-14(19)10-3-6-12-13(8-10)18-15(20)17-12/h1-6,8,14,19H,7H2,(H2,17,18,20)
InChIKeyAAJOKYKBCDIUOP-UHFFFAOYSA-N
XLogP2.27
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one (CID 61086953) is 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)Cc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AAJOKYKBCDIUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-11-4-1-9(2-5-11)7-14(19)10-3-6-12-13(8-10)18-15(20)17-12/h1-6,8,14,19H,7H2,(H2,17,18,20).
What are the key properties of 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 272.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61086953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).