5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one

C15H12BrFN2O2 — CID 62373414

IUPAC5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(O)Cc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C15H12BrFN2O2/c16-11-7-13-12(18-15(21)19-13)6-10(11)14(20)5-8-1-3-9(17)4-2-8/h1-4,6-7,14,20H,5H2,(H2,18,19,21)
InChIKeyDZLNTLDULZJXTN-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62373414) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62373414
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(O)Cc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C15H12BrFN2O2/c16-11-7-13-12(18-15(21)19-13)6-10(11)14(20)5-8-1-3-9(17)4-2-8/h1-4,6-7,14,20H,5H2,(H2,18,19,21)
InChIKeyDZLNTLDULZJXTN-UHFFFAOYSA-N
XLogP3.03
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one (CID 62373414) is 5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(C(O)Cc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DZLNTLDULZJXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-11-7-13-12(18-15(21)19-13)6-10(11)14(20)5-8-1-3-9(17)4-2-8/h1-4,6-7,14,20H,5H2,(H2,18,19,21).
What are the key properties of 5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 351.18 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[2-(4-fluorophenyl)-1-hydroxyethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62373414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).