[2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone

C16H11BrFN3O — CID 155548883

IUPAC[2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cnc(Nc2cccc(Br)c2)[nH]1
InChIInChI=1S/C16H11BrFN3O/c17-11-4-2-6-13(8-11)20-16-19-9-14(21-16)15(22)10-3-1-5-12(18)7-10/h1-9H,(H2,19,20,21)
InChIKeyOBSUPDMLEQKBQE-UHFFFAOYSA-N
MW360.19 g/mol
LogP4.29
Rot. Bonds4

About [2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone

[2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone (PubChem CID 155548883) has the molecular formula C16H11BrFN3O and a molecular weight of 360.19 g/mol. Its IUPAC name is [2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone
PubChem CID155548883
Molecular FormulaC16H11BrFN3O
Molecular Weight360.19 g/mol
Exact Mass359.01
IUPAC Name[2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cnc(Nc2cccc(Br)c2)[nH]1
InChIInChI=1S/C16H11BrFN3O/c17-11-4-2-6-13(8-11)20-16-19-9-14(21-16)15(22)10-3-1-5-12(18)7-10/h1-9H,(H2,19,20,21)
InChIKeyOBSUPDMLEQKBQE-UHFFFAOYSA-N
XLogP4.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone (CID 155548883) is [2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1cnc(Nc2cccc(Br)c2)[nH]1.
What is the InChIKey of [2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone?
The InChIKey is OBSUPDMLEQKBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O/c17-11-4-2-6-13(8-11)20-16-19-9-14(21-16)15(22)10-3-1-5-12(18)7-10/h1-9H,(H2,19,20,21).
What are the key properties of [2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone?
[2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone has a molecular weight of 360.19 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromoanilino)-1H-imidazol-5-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 155548883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).