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

C14H10BrFN2O2 — CID 61088823

IUPAC5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)c3cc(F)ccc3Br)cc2[nH]1
InChIInChI=1S/C14H10BrFN2O2/c15-10-3-2-8(16)6-9(10)13(19)7-1-4-11-12(5-7)18-14(20)17-11/h1-6,13,19H,(H2,17,18,20)
InChIKeyKZTHDTHUYHVRPZ-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.84
Rot. Bonds2

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

5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61088823) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is 5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61088823
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC Name5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)c3cc(F)ccc3Br)cc2[nH]1
InChIInChI=1S/C14H10BrFN2O2/c15-10-3-2-8(16)6-9(10)13(19)7-1-4-11-12(5-7)18-14(20)17-11/h1-6,13,19H,(H2,17,18,20)
InChIKeyKZTHDTHUYHVRPZ-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-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (CID 61088823) is 5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)c3cc(F)ccc3Br)cc2[nH]1.
What is the InChIKey of 5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KZTHDTHUYHVRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-10-3-2-8(16)6-9(10)13(19)7-1-4-11-12(5-7)18-14(20)17-11/h1-6,13,19H,(H2,17,18,20).
What are the key properties of 5-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
5-[(2-bromo-5-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-[(2-bromo-5-fluorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61088823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).