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

C10H8ClFN2O — CID 106951921

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(Cc2cccc(Cl)c2F)N1
InChIInChI=1S/C10H8ClFN2O/c11-7-3-1-2-6(10(7)12)4-8-13-5-9(15)14-8/h1-3H,4-5H2,(H,13,14,15)
InChIKeyPPOBIMRVLIQUEL-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.55
Rot. Bonds2

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

2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one (PubChem CID 106951921) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one
PubChem CID106951921
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(Cc2cccc(Cl)c2F)N1
InChIInChI=1S/C10H8ClFN2O/c11-7-3-1-2-6(10(7)12)4-8-13-5-9(15)14-8/h1-3H,4-5H2,(H,13,14,15)
InChIKeyPPOBIMRVLIQUEL-UHFFFAOYSA-N
XLogP1.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Chloro-benzyl)-4,5-dihydro-1H-imidazole
CID 14639161
(3-chloro-2-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanamine
CID 19889733
2-(2-Chloro-6-fluoro-benzyl)-4,5-dihydro-1H-imidazole
CID 58951774
2-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-1H-pyrimidin-6-one
CID 68805832
(3-chloro-4-fluorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methanethiol
CID 87488656
2-[2-(3-Chloro-4-fluorophenyl)ethylamino]acetamide
CID 115260137
2-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrimidin-6-one
CID 63023513
2-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrimidin-6-one
CID 63034213
5-amino-2-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrimidine-4,6-dione
CID 82171081
2-[2-(2-Chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 82287889
2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide
CID 82495342
2-amino-N-[2-(5-chloro-2-fluorophenyl)ethyl]acetamide
CID 82495343

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one (CID 106951921) is 2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one is O=C1CN=C(Cc2cccc(Cl)c2F)N1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one?
The InChIKey is PPOBIMRVLIQUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-7-3-1-2-6(10(7)12)4-8-13-5-9(15)14-8/h1-3H,4-5H2,(H,13,14,15).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one?
2-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydroimidazol-5-one has a molecular weight of 226.64 g/mol, XLogP of 1.55, 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]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).