1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one

C18H18BrF2N3O3 — CID 176828936

IUPAC1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one
SMILESCC(F)(F)c1cccc(Br)c1COc1ccc(N2CC(CO)NC2=O)nc1
InChIInChI=1S/C18H18BrF2N3O3/c1-18(20,21)14-3-2-4-15(19)13(14)10-27-12-5-6-16(22-7-12)24-8-11(9-25)23-17(24)26/h2-7,11,25H,8-10H2,1H3,(H,23,26)
InChIKeyBJPFRRPYIPHZGO-UHFFFAOYSA-N
MW442.26 g/mol
LogP3.43
Rot. Bonds6

About 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one

1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one (PubChem CID 176828936) has the molecular formula C18H18BrF2N3O3 and a molecular weight of 442.26 g/mol. Its IUPAC name is 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one
PubChem CID176828936
Molecular FormulaC18H18BrF2N3O3
Molecular Weight442.26 g/mol
Exact Mass441.05
IUPAC Name1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one
SMILESCC(F)(F)c1cccc(Br)c1COc1ccc(N2CC(CO)NC2=O)nc1
InChIInChI=1S/C18H18BrF2N3O3/c1-18(20,21)14-3-2-4-15(19)13(14)10-27-12-5-6-16(22-7-12)24-8-11(9-25)23-17(24)26/h2-7,11,25H,8-10H2,1H3,(H,23,26)
InChIKeyBJPFRRPYIPHZGO-UHFFFAOYSA-N
XLogP3.43
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.26
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one with MolForge

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Related Compounds

1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one
CID 176828852
(4R)-1-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one
CID 170608817
(4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one
CID 175982322
3-[4-[[2-(1,1-difluoroethyl)-6-methylphenyl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 174303112
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]imidazolidin-2-one
CID 175982314
3-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 170609039
3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]-5-(hydroxymethyl)imidazolidine-2,4-dione
CID 170608576
3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 170608697
3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 175982335
(4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 140625322
N-[tert-butyl(dimethyl)-λ4-sulfanyl]-1-[1-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,2,4-triazol-3-yl]methanamine
CID 176828845
2-bromo-5-phenylmethoxypyridine;tert-butyl 4-(5-phenylmethoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 158804700

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one?
The IUPAC name of 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one (CID 176828936) is 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one?
The canonical SMILES for 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one is CC(F)(F)c1cccc(Br)c1COc1ccc(N2CC(CO)NC2=O)nc1.
What is the InChIKey of 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one?
The InChIKey is BJPFRRPYIPHZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2N3O3/c1-18(20,21)14-3-2-4-15(19)13(14)10-27-12-5-6-16(22-7-12)24-8-11(9-25)23-17(24)26/h2-7,11,25H,8-10H2,1H3,(H,23,26).
What are the key properties of 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one?
1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one has a molecular weight of 442.26 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]-2-pyridinyl]-4-(hydroxymethyl)imidazolidin-2-one is sourced from PubChem (CID 176828936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).