1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone

C36H38Br2F2N8O2 — CID 165001602

IUPAC1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone
SMILESCCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)=O)c1Br.CCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)O)c1Br
InChIInChI=1S/C18H20BrFN4O.C18H18BrFN4O/c2*1-4-24-17(19)13(8-21-24)10-23-9-11(2)22-18(23)15-6-5-14(20)7-16(15)12(3)25/h5-9,12,25H,4,10H2,1-3H3;5-9H,4,10H2,1-3H3
InChIKeyIIFGTHJWERINMP-UHFFFAOYSA-N
MW812.56 g/mol
LogP8.31
Rot. Bonds10

About 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone

1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone (PubChem CID 165001602) has the molecular formula C36H38Br2F2N8O2 and a molecular weight of 812.56 g/mol. Its IUPAC name is 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone
PubChem CID165001602
Molecular FormulaC36H38Br2F2N8O2
Molecular Weight812.56 g/mol
Exact Mass810.15
IUPAC Name1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone
SMILESCCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)=O)c1Br.CCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)O)c1Br
InChIInChI=1S/C18H20BrFN4O.C18H18BrFN4O/c2*1-4-24-17(19)13(8-21-24)10-23-9-11(2)22-18(23)15-6-5-14(20)7-16(15)12(3)25/h5-9,12,25H,4,10H2,1-3H3;5-9H,4,10H2,1-3H3
InChIKeyIIFGTHJWERINMP-UHFFFAOYSA-N
XLogP8.31
TPSA108.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.56
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone with MolForge

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Related Compounds

1-[2-[1-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol
CID 164719279
2-[3-(4-Imidazol-1-ylphenyl)-1-(methoxymethyl)pyrazol-5-yl]benzoic acid;2-[5-(4-imidazol-1-ylphenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid
CID 158850999
1-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane
CID 164947019
1-[2-[5-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanol;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethanone
CID 164971474
Magnesium;carbanide;1-[[5-(4-fluoro-2-formylphenyl)-1-methylpyrazol-4-yl]methyl]imidazole-4-carbonitrile;1-[[5-[4-fluoro-2-(1-hydroxyethyl)phenyl]-1-methylpyrazol-4-yl]methyl]imidazole-4-carbonitrile;bromide
CID 164994047
1-[[2-(2-Acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]imidazole-4-carbonitrile;1-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]imidazole-4-carbonitrile
CID 165017109
Magnesium;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
CID 165036900
2-[1-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]methanol
CID 165052263
1-[[2-(2-Acetyl-4-fluorophenyl)pyrazol-3-yl]methyl]imidazole-4-carbonitrile;1-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methyl]imidazole-4-carbonitrile
CID 165056383
Magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
CID 165064042
Magnesium;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
CID 165071079
1-[2-[4-[(5-Bromo-4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol;1-bromopyrrolidine-2,5-dione;1-[2-[4-[(4-ethylimidazol-1-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethanol
CID 165075315

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone (CID 165001602) is 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone is CCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)=O)c1Br.CCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)O)c1Br.
What is the InChIKey of 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone?
The InChIKey is IIFGTHJWERINMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN4O.C18H18BrFN4O/c2*1-4-24-17(19)13(8-21-24)10-23-9-11(2)22-18(23)15-6-5-14(20)7-16(15)12(3)25/h5-9,12,25H,4,10H2,1-3H3;5-9H,4,10H2,1-3H3.
What are the key properties of 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone?
1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone has a molecular weight of 812.56 g/mol, XLogP of 8.31, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone is sourced from PubChem (CID 165001602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).