5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one

C18H11ClFN3O — CID 122656702

IUPAC5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cccc3-c3ccc(F)nc3)cc2[nH]1
InChIInChI=1S/C18H11ClFN3O/c19-13-3-1-2-12(11-5-7-16(20)21-9-11)17(13)10-4-6-14-15(8-10)23-18(24)22-14/h1-9H,(H2,22,23,24)
InChIKeyMUHKMTGRIWUXMS-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.38
Rot. Bonds2

About 5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one

5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656702) has the molecular formula C18H11ClFN3O and a molecular weight of 339.76 g/mol. Its IUPAC name is 5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID122656702
Molecular FormulaC18H11ClFN3O
Molecular Weight339.76 g/mol
Exact Mass339.06
IUPAC Name5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cccc3-c3ccc(F)nc3)cc2[nH]1
InChIInChI=1S/C18H11ClFN3O/c19-13-3-1-2-12(11-5-7-16(20)21-9-11)17(13)10-4-6-14-15(8-10)23-18(24)22-14/h1-9H,(H2,22,23,24)
InChIKeyMUHKMTGRIWUXMS-UHFFFAOYSA-N
XLogP4.38
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one (CID 122656702) is 5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3c(Cl)cccc3-c3ccc(F)nc3)cc2[nH]1.
What is the InChIKey of 5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MUHKMTGRIWUXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O/c19-13-3-1-2-12(11-5-7-16(20)21-9-11)17(13)10-4-6-14-15(8-10)23-18(24)22-14/h1-9H,(H2,22,23,24).
What are the key properties of 5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 339.76 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).