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

C11H11FN2O — CID 106952004

IUPAC2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(Cc2cccc(F)c2)NC1=O
InChIInChI=1S/C11H11FN2O/c1-7-11(15)14-10(13-7)6-8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyYWIBUTFNQUCQMI-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.28
Rot. Bonds2

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

2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 106952004) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
PubChem CID106952004
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(Cc2cccc(F)c2)NC1=O
InChIInChI=1S/C11H11FN2O/c1-7-11(15)14-10(13-7)6-8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyYWIBUTFNQUCQMI-UHFFFAOYSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4,5-dihydro-1H-imidazol-5-one
CID 2749590
2-benzyl-9-(2-ethylhexyl)-4,5-dihydro-1H-purin-6-one
CID 155512334
2-benzyl-9-hexyl-4,5-dihydro-1H-purin-6-one
CID 155536215
2-benzyl-9-octyl-4,5-dihydro-1H-purin-6-one
CID 155540253
2-benzyl-9-butyl-4,5-dihydro-1H-purin-6-one
CID 155547380
5-Amino-5-trifluoromethyl-2-phenyl-3,5-dihydroimidazol-4-one
CID 129865230
5-Oxo-2-phenyl-4-trifluoromethyl-4,5-dihydro-1h-imidazole
CID 129880430
CID 172459830
CID 172459830
N-[(S)-1-(p-fluorophenyl)ethyl]-2-imidazoline-2-carboxamide
CID 51980483
2-[(2-Fluorophenyl)-(2-methyl-5-oxo-1,4-dihydroimidazol-4-yl)methyl]propanedinitrile
CID 75829663
5-Fluoro-2-(4-fluorobenzyl)-4-hydroxypyrimidine
CID 10536984
5-amino-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
CID 20276721

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (CID 106952004) is 2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is CC1N=C(Cc2cccc(F)c2)NC1=O.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is YWIBUTFNQUCQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-11(15)14-10(13-7)6-8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 206.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).