1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one

C11H10BrFN2O — CID 80582159

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2ccc(Br)cc2F)c1=O
InChIInChI=1S/C11H10BrFN2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)6-10(8)13/h2-6H,7H2,1H3
InChIKeyXUDYPCZXYPEZPF-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.14
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one

1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one (PubChem CID 80582159) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one
PubChem CID80582159
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2ccc(Br)cc2F)c1=O
InChIInChI=1S/C11H10BrFN2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)6-10(8)13/h2-6H,7H2,1H3
InChIKeyXUDYPCZXYPEZPF-UHFFFAOYSA-N
XLogP2.14
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one (CID 80582159) is 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one is Cn1ccn(Cc2ccc(Br)cc2F)c1=O.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one?
The InChIKey is XUDYPCZXYPEZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)6-10(8)13/h2-6H,7H2,1H3.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one?
1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one has a molecular weight of 285.12 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80582159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).