2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one

C10H9FN2O — CID 106951898

IUPAC2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one
SMILESCc1ccc(C2=NCC(=O)N2)cc1F
InChIInChI=1S/C10H9FN2O/c1-6-2-3-7(4-8(6)11)10-12-5-9(14)13-10/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyRLNUZTCMPQOHRO-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.01
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one

2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one (PubChem CID 106951898) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one
PubChem CID106951898
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one
SMILESCc1ccc(C2=NCC(=O)N2)cc1F
InChIInChI=1S/C10H9FN2O/c1-6-2-3-7(4-8(6)11)10-12-5-9(14)13-10/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyRLNUZTCMPQOHRO-UHFFFAOYSA-N
XLogP1.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one (CID 106951898) is 2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one is Cc1ccc(C2=NCC(=O)N2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is RLNUZTCMPQOHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6-2-3-7(4-8(6)11)10-12-5-9(14)13-10/h2-4H,5H2,1H3,(H,12,13,14).
What are the key properties of 2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one?
2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 192.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).