1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole

C16H15BrFIN4 — CID 164719435

IUPAC1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole
SMILESCCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2I)c1Br
InChIInChI=1S/C16H15BrFIN4/c1-3-23-15(17)11(7-20-23)9-22-8-10(2)21-16(22)13-5-4-12(18)6-14(13)19/h4-8H,3,9H2,1-2H3
InChIKeyKSZLFNPEIOSDRJ-UHFFFAOYSA-N
MW489.13 g/mol
LogP4.63
Rot. Bonds4

About 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole

1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole (PubChem CID 164719435) has the molecular formula C16H15BrFIN4 and a molecular weight of 489.13 g/mol. Its IUPAC name is 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole.

Molecular Properties

Compound Name1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole
PubChem CID164719435
Molecular FormulaC16H15BrFIN4
Molecular Weight489.13 g/mol
Exact Mass487.95
IUPAC Name1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole
SMILESCCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2I)c1Br
InChIInChI=1S/C16H15BrFIN4/c1-3-23-15(17)11(7-20-23)9-22-8-10(2)21-16(22)13-5-4-12(18)6-14(13)19/h4-8H,3,9H2,1-2H3
InChIKeyKSZLFNPEIOSDRJ-UHFFFAOYSA-N
XLogP4.63
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.13
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole 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-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole?
The IUPAC name of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole (CID 164719435) is 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole.
What is the SMILES notation for 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole?
The canonical SMILES for 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole is CCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2I)c1Br.
What is the InChIKey of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole?
The InChIKey is KSZLFNPEIOSDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFIN4/c1-3-23-15(17)11(7-20-23)9-22-8-10(2)21-16(22)13-5-4-12(18)6-14(13)19/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole?
1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole has a molecular weight of 489.13 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole is sourced from PubChem (CID 164719435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).