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

C17H16BrFN2O2 — CID 121479530

IUPAC1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
SMILESCOc1cc(Br)ccc1N1CCN(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C17H16BrFN2O2/c1-23-16-10-13(18)5-6-15(16)21-8-7-20(17(21)22)11-12-3-2-4-14(19)9-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyNNNYSDGVSDTRHQ-UHFFFAOYSA-N
MW379.23 g/mol
LogP4.04
Rot. Bonds4

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

1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one (PubChem CID 121479530) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
PubChem CID121479530
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
SMILESCOc1cc(Br)ccc1N1CCN(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C17H16BrFN2O2/c1-23-16-10-13(18)5-6-15(16)21-8-7-20(17(21)22)11-12-3-2-4-14(19)9-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyNNNYSDGVSDTRHQ-UHFFFAOYSA-N
XLogP4.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 121479507
1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 122680963
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one
CID 140829121
1-benzyl-3-(4-bromophenyl)imidazolidin-2-one
CID 118239025
1-[(3-fluorophenyl)methyl]-3-[4-(3-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one
CID 140829082
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 115512911
3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
CID 71709298
1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833364
1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
CID 50742706
4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one
CID 7447150

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one (CID 121479530) is 1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one is COc1cc(Br)ccc1N1CCN(Cc2cccc(F)c2)C1=O.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is NNNYSDGVSDTRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-23-16-10-13(18)5-6-15(16)21-8-7-20(17(21)22)11-12-3-2-4-14(19)9-12/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one?
1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 379.23 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 121479530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).