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

C14H11FN2O2 — CID 61086769

IUPAC5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)c3cccc(F)c3)cc2[nH]1
InChIInChI=1S/C14H11FN2O2/c15-10-3-1-2-8(6-10)13(18)9-4-5-11-12(7-9)17-14(19)16-11/h1-7,13,18H,(H2,16,17,19)
InChIKeyZZEBBPBHBUJHBV-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.08
Rot. Bonds2

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

5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61086769) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61086769
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)c3cccc(F)c3)cc2[nH]1
InChIInChI=1S/C14H11FN2O2/c15-10-3-1-2-8(6-10)13(18)9-4-5-11-12(7-9)17-14(19)16-11/h1-7,13,18H,(H2,16,17,19)
InChIKeyZZEBBPBHBUJHBV-UHFFFAOYSA-N
XLogP2.08
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (CID 61086769) is 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)c3cccc(F)c3)cc2[nH]1.
What is the InChIKey of 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZZEBBPBHBUJHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-10-3-1-2-8(6-10)13(18)9-4-5-11-12(7-9)17-14(19)16-11/h1-7,13,18H,(H2,16,17,19).
What are the key properties of 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 258.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61086769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).