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

C18H20BrFN4O — CID 164719279

IUPAC1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol
SMILESCCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)O)c1Br
InChIInChI=1S/C18H20BrFN4O/c1-4-24-17(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
InChIKeyCHPWNQARBFNEBQ-UHFFFAOYSA-N
MW407.29 g/mol
LogP4.08
Rot. Bonds5

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]ethanol (PubChem CID 164719279) has the molecular formula C18H20BrFN4O and a molecular weight of 407.29 g/mol. Its IUPAC name is 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol
PubChem CID164719279
Molecular FormulaC18H20BrFN4O
Molecular Weight407.29 g/mol
Exact Mass406.08
IUPAC Name1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol
SMILESCCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)O)c1Br
InChIInChI=1S/C18H20BrFN4O/c1-4-24-17(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
InChIKeyCHPWNQARBFNEBQ-UHFFFAOYSA-N
XLogP4.08
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
The IUPAC name of 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol (CID 164719279) is 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanol is 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?
The InChIKey is CHPWNQARBFNEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN4O/c1-4-24-17(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.
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]ethanol has a molecular weight of 407.29 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 164719279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).