5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one

C14H10BrFN2O2 — CID 62373413

IUPAC5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(O)c3cccc(F)c3)cc2[nH]1
InChIInChI=1S/C14H10BrFN2O2/c15-10-6-12-11(17-14(20)18-12)5-9(10)13(19)7-2-1-3-8(16)4-7/h1-6,13,19H,(H2,17,18,20)
InChIKeyIKNLUAQFEIMRSO-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.84
Rot. Bonds2

About 5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62373413) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is 5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62373413
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC Name5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(O)c3cccc(F)c3)cc2[nH]1
InChIInChI=1S/C14H10BrFN2O2/c15-10-6-12-11(17-14(20)18-12)5-9(10)13(19)7-2-1-3-8(16)4-7/h1-6,13,19H,(H2,17,18,20)
InChIKeyIKNLUAQFEIMRSO-UHFFFAOYSA-N
XLogP2.84
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (CID 62373413) is 5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(C(O)c3cccc(F)c3)cc2[nH]1.
What is the InChIKey of 5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IKNLUAQFEIMRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-10-6-12-11(17-14(20)18-12)5-9(10)13(19)7-2-1-3-8(16)4-7/h1-6,13,19H,(H2,17,18,20).
What are the key properties of 5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 337.15 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62373413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).