2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one

C11H10ClFN2O — CID 106952128

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(Cc2cccc(Cl)c2F)NC1=O
InChIInChI=1S/C11H10ClFN2O/c1-6-11(16)15-9(14-6)5-7-3-2-4-8(12)10(7)13/h2-4,6H,5H2,1H3,(H,14,15,16)
InChIKeyWFMLAZTWCQZQRO-UHFFFAOYSA-N
MW240.66 g/mol
LogP1.94
Rot. Bonds2

About 2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one

2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 106952128) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
PubChem CID106952128
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(Cc2cccc(Cl)c2F)NC1=O
InChIInChI=1S/C11H10ClFN2O/c1-6-11(16)15-9(14-6)5-7-3-2-4-8(12)10(7)13/h2-4,6H,5H2,1H3,(H,14,15,16)
InChIKeyWFMLAZTWCQZQRO-UHFFFAOYSA-N
XLogP1.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (CID 106952128) is 2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is CC1N=C(Cc2cccc(Cl)c2F)NC1=O.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is WFMLAZTWCQZQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-6-11(16)15-9(14-6)5-7-3-2-4-8(12)10(7)13/h2-4,6H,5H2,1H3,(H,14,15,16).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 240.66 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).